SCHEMBL17033291

SCHEMBL17033291

COc1ccn2ccc(C)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
ALDH1A1 P00352 4/20 0.38
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
MAPT P10636 3/20 0.36
KDM4E B2RXH2 3/20 0.36
RXFP1 Q9HBX9 2/20 0.36
GAA P10253 1/20 0.36
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
CA14 Q9ULX7 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17031849 0.75 CA1 (0.41) ACHEALDH1A1HTR2AHTR2CMAPT
SCHEMBL17039302 0.75 MAPT (0.39) ALDH1A1HTR2AHTR2CMAPTKDM4E
SCHEMBL19240143 0.75 HTR2C (0.37) ALDH1A1HTR2AHTR2CMAPTKDM4E
SCHEMBL344208 0.73 KDM4E (0.43) ALDH1A1MAPTKDM4ERXFP1GAA
SCHEMBL26131216 0.73 ALDH1A1 (0.53) ALDH1A1MAPTKDM4ECA12CA1
SCHEMBL8404409 0.73 KDM4E (0.38) ACHEALDH1A1HTR2AHTR2CMAPT
SCHEMBL21534526 0.72 HTR2C (0.36) ALDH1A1HTR2AHTR2CMAPTKDM4E
SCHEMBL26129098 0.72 NOTUM (0.47) ALDH1A1KDM4EGAACA12CA1
SCHEMBL18555699 0.72 ALDH1A1 (0.50) ALDH1A1MAPTKDM4EGAANPC1
SCHEMBL29882922 0.71 PARP1 (0.45) ALDH1A1KDM4ERXFP1CA1CA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4129407-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS Achillion Pharmaceuticals, Inc. (US) 2023-02-08 EP disclosed
EP-3110418-B1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS INC (US) 2019-11-06 EP disclosed
US-10287301-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2019-05-14 US disclosed
US-9828396-B2 Alkyne compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-11-28 US disclosed
US-9796741-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-10-24 US disclosed
US-20170298084-A1 AMIDE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2017-10-19 US disclosed
US-20170298085-A1 CARBAMATE, ESTER, AND KETONE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2017-10-19 US disclosed
US-20170260219-A1 PHOSPHONATE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2017-09-14 US disclosed
US-9758537-B2 Compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS (US) 2017-09-12 US disclosed
US-9732103-B2 Carbamate, ester, and ketone compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-08-15 US disclosed
WO-2015130845-A1 PHOSPHONATE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2015-09-03 WO disclosed
WO-2015130838-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2015-09-03 WO disclosed
WO-2015130830-A1 CARBAMATE, ESTER, AND KETONE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2015-09-03 WO disclosed
US-20150239893-A1 Amide Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2015-08-27 US disclosed
US-20150239838-A1 Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2015-08-27 US disclosed
US-20150239921-A1 Phosphonate Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2015-08-27 US disclosed
US-20150239895-A1 Aryl, Heteroaryl, and Heterocyclic Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2015-08-27 US disclosed
US-20150239919-A1 Carbamate, Ester, and Ketone Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2015-08-27 US disclosed
US-20150239868-A1 Alkyne Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2015-08-27 US disclosed
US-20150239920-A1 Ether Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2015-08-27 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150239868-A1 Alkyne Compounds for Treatment of Complement Mediated Disorders CFD, C9, TFPI ACHE 2441/4885HTR3E 1687/4885HTR3B 1141/4885
US-20150239838-A1 Compounds for Treatment of Complement Mediated Disorders CFD, TFPI, CFH ACHE 2377/4885HTR3E 4003/4885HTR3B 3269/4885
US-20170298084-A1 AMIDE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, TFPI, C9 ACHE 2262/4885HTR3E 3161/4885HTR3B 2509/4885
US-20170260219-A1 PHOSPHONATE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, TFPI, C1QBP ACHE 2588/4885HTR3E 3218/4885HTR3B 3048/4885
US-20150239920-A1 Ether Compounds for Treatment of Complement Mediated Disorders TFPI, CFD, C9 ACHE 2225/4885HTR3E 2156/4885HTR3B 2642/4885
US-20150239895-A1 Aryl, Heteroaryl, and Heterocyclic Compounds for Treatment of Complement Mediated Disorders TFPI, CFD, F3 ACHE 2945/4885HTR3E 692/4885HTR3B 438/4885
US-20150239893-A1 Amide Compounds for Treatment of Complement Mediated Disorders CFD, TFPI, C9 ACHE 2262/4885HTR3E 3161/4885HTR3B 2509/4885
US-20170298085-A1 CARBAMATE, ESTER, AND KETONE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, C9, CFH ACHE 880/4885HTR3E 3924/4885HTR3B 3843/4885
US-10287301-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders CFD, F12, F3 ACHE 3135/4885HTR3E 453/4885HTR3B 347/4885
US-20150239921-A1 Phosphonate Compounds for Treatment of Complement Mediated Disorders CFD, TFPI, C1QBP ACHE 2588/4885HTR3E 3218/4885HTR3B 3048/4885
US-20150239919-A1 Carbamate, Ester, and Ketone Compounds for Treatment of Complement Mediated Disorders CFD, C9, CFH ACHE 880/4885HTR3E 3924/4885HTR3B 3843/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.