SCHEMBL17037512

SCHEMBL17037512

CC(C)(C)N1CCN(c2ncc(F)cn2)CC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 6/20 0.43
▸ OGA O60502 1/20 0.43
▸ HTR1A P08908 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ DRD2 P14416 1/20 0.40
▸ CYP2D6 P10635 1/20 0.39

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
SCHEMBL20225831 0.83 OGA (0.41) OGAKDM4E
SCHEMBL1505703 0.81 PANK3 (0.41) OGAKDM4E
SCHEMBL530287 0.81 OGA (0.41) OGAKDM4E
SCHEMBL1505644 0.81 OGA (0.36) OGAKDM4EGAA
SCHEMBL21025738 0.81 HTR3A (0.36) OGAKDM4E
SCHEMBL17404870 0.81 MEN1 (0.40) OGAKDM4E
SCHEMBL24827960 0.79 OGA (0.40) OGAKDM4E
SCHEMBL19449799 0.79 OGA (0.45) OGAKDM4E
SCHEMBL24945648 0.79 HTR3A (0.34) SIGMAR1OGAKDM4E
SCHEMBL8275473 0.79 SIGMAR1 (0.50) SIGMAR1OGAHTR1AKDM4ECYP1A2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11814391-B2 Macrocyclic compounds for the treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-11-14 — — US disclosed
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-11-09 — — US disclosed
US-11718626-B2 Macrocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-08-08 — — US disclosed
US-11718626-B2 Macrocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-08-08 — — US disclosed
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-07-25 — — US disclosed
US-20210300934-A1 MACROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2021-09-30 — — US disclosed
US-11053253-B2 Macrocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2021-07-06 — — US disclosed
US-20190023729-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2019-01-24 — — US disclosed
US-20180030075-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2018-02-01 — — US disclosed
US-20180030075-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2018-02-01 — — 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-9796741-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-10-24 — — US disclosed
US-20160362399-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2016-12-15 — — 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

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

For each of this compound's patents that has machine-readable text (10 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-11718626-B2 Macrocyclic compounds for treatment of medical disorders CFD, TFPI, CFH SIGMAR1 3632/4885OGA 1270/4885HTR1A 3009/4885
US-11053253-B2 Macrocyclic compounds for treatment of medical disorders CFD, TFPI, CFH SIGMAR1 3632/4885OGA 1270/4885HTR1A 3009/4885
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders CFD, TFPI, CFH SIGMAR1 2433/4885OGA 952/4885HTR1A 1039/4885
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH SIGMAR1 2433/4885OGA 952/4885HTR1A 1039/4885
US-20180030075-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS TFPI, CFD, F3 SIGMAR1 3497/4885OGA 1430/4885HTR1A 1145/4885
US-20150239895-A1 Aryl, Heteroaryl, and Heterocyclic Compounds for Treatment of Complement Mediated Disorders TFPI, CFD, F3 SIGMAR1 3794/4885OGA 1347/4885HTR1A 1497/4885
US-20210300934-A1 MACROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH SIGMAR1 3632/4885OGA 1270/4885HTR1A 3009/4885
US-20190023729-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS TFPI, CFD, F3 SIGMAR1 3794/4885OGA 1347/4885HTR1A 1497/4885
US-11814391-B2 Macrocyclic compounds for the treatment of medical disorders CFD, TFPI, CFH SIGMAR1 4514/4885OGA 1376/4885HTR1A 2977/4885
US-20160362399-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, CFH, TFPI SIGMAR1 3927/4885OGA 2563/4885HTR1A 1007/4885

“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.

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