SCHEMBL21789645

SCHEMBL21789645

O=C1C2CC(C2)CN1Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.51
HPGD P15428 1/20 0.51
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
CYP2C19 P33261 2/20 0.43
EHMT2 Q96KQ7 1/20 0.43
CYP3A4 P08684 1/20 0.43
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
POLB P06746 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL7226436 0.87 TSHR (0.47) TSHRHPGD
SCHEMBL6202791 0.82 TSHR (0.58) TSHRHPGDALDH1A1KMT2AMEN1
SCHEMBL10262574 0.76 TSHR (0.47) TSHRHPGDALDH1A1SMN1; SMN2KMT2A
SCHEMBL21262205 0.73 TSHR (0.45) TSHRHPGDALDH1A1SMN1; SMN2KMT2A
SCHEMBL14410727 0.73 TSHR (0.45) TSHRHPGDALDH1A1SMN1; SMN2KMT2A
SCHEMBL1920902 0.73 TSHR (0.45) TSHRHPGDALDH1A1SMN1; SMN2KMT2A
SCHEMBL10483634 0.72 KMT2A (0.56) TSHRHPGDALDH1A1KMT2AMEN1
SCHEMBL13484174 0.72 HPGD (0.47) TSHRHPGDALDH1A1KMT2AMEN1
SCHEMBL10341454 0.72 KMT2A (0.49) TSHRHPGDALDH1A1KMT2AMEN1
SCHEMBL21262203 0.72 CHRM2 (0.46) TSHRHPGDALDH1A1SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-11-09 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-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-07-25 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-20220396563-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2022-12-15 US disclosed
US-11084800-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2021-08-10 US disclosed
US-20210024578-A1 ANGIOTENSIN-(1-7) ANALOGS AND METHODS RELATING THERETO UNIVERSITY COLLEGE DUBLIN (IE) 2021-01-28 US disclosed
US-20210024578-A1 ANGIOTENSIN-(1-7) ANALOGS AND METHODS RELATING THERETO UNIVERSITY COLLEGE DUBLIN (IE) 2021-01-28 US disclosed
US-20200216499-A1 ANGIOTENSIN-(1-7) ANALOGS AND METHODS RELATING THERETO WAKE FOREST UNIVERSITY HEALTH SCIENCES (US) 2020-07-09 US disclosed
US-20200216499-A1 ANGIOTENSIN-(1-7) ANALOGS AND METHODS RELATING THERETO WAKE FOREST UNIVERSITY HEALTH SCIENCES (US) 2020-07-09 US disclosed
US-20200071301-A1 Aryi, Heteroaryl, and Heterocyclic Pharmaceutical Compounds for Treatment of Medical Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2020-03-05 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 (7 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-20200216499-A1 ANGIOTENSIN-(1-7) ANALOGS AND METHODS RELATING THERETO ACE, AGT, ACE2 TSHR 2937/4885HPGD 455/4885ALDH1A1 621/4885
US-20200071301-A1 Aryi, Heteroaryl, and Heterocyclic Pharmaceutical Compounds for Treatment of Medical Disorders CFD, TFPI, CFH TSHR 2536/4885HPGD 88/4885ALDH1A1 2545/4885
US-20210024578-A1 ANGIOTENSIN-(1-7) ANALOGS AND METHODS RELATING THERETO ACE, AGT, ACE2 TSHR 2937/4885HPGD 455/4885ALDH1A1 621/4885
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders CFD, TFPI, CFH TSHR 1662/4885HPGD 85/4885ALDH1A1 2338/4885
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH TSHR 1662/4885HPGD 85/4885ALDH1A1 2338/4885
US-20220396563-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH TSHR 1662/4885HPGD 85/4885ALDH1A1 2338/4885
US-11084800-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders CFD, TFPI, CFH TSHR 1662/4885HPGD 85/4885ALDH1A1 2338/4885

“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.