SCHEMBL4496028

SCHEMBL4496028

CC(N)Cc1cccc(C#N)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.57
PNMT P11086 2/20 0.55
TAAR1 Q96RJ0 4/20 0.53
SLC6A2 P23975 4/20 0.53
SLC6A4 P31645 3/20 0.53
SLC6A3 Q01959 2/20 0.53
MAOA P21397 1/20 0.53
SIGMAR1 Q99720 1/20 0.53
CYP2A6 P11509 1/20 0.53
ADORA2A P29274 1/20 0.53
ADORA1 P30542 1/20 0.53
HTR2A P28223 2/20 0.50
HTR2C P28335 2/20 0.50
HTR2B P41595 2/20 0.50
FOLH1 Q04609 1/20 0.48
DPP4 P27487 2/20 0.46
DPP7 Q9UHL4 2/20 0.46
FAP Q12884 1/20 0.46
DPP8 Q6V1X1 1/20 0.46
DPP9 Q86TI2 1/20 0.46

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
SCHEMBL5262783 1.00 GLA (0.57) GLAPNMTTAAR1SLC6A2SLC6A4
SCHEMBL2660512 0.87 GLA (0.58) GLASLC6A2SLC6A4SLC6A3FOLH1
Amphetamine SCHEMBL28349144 0.85 TAAR1 (0.70) PNMTTAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL21316490 0.84 GLA (0.55) GLASLC6A2SLC6A4SLC6A3FOLH1
SCHEMBL10606037 0.84 FOLH1 (0.50) GLASLC6A2SLC6A4FOLH1DPP4
SCHEMBL22395447 0.84 FOLH1 (0.50) GLASLC6A2SLC6A4FOLH1DPP4
SCHEMBL28046794 0.84 GLA (0.55) GLASLC6A2SLC6A4SLC6A3FOLH1
SCHEMBL18648975 0.82 GLA (0.54) GLASLC6A2SLC6A4SLC6A3FOLH1
SCHEMBL30762197 0.82 DPP7 (0.50) GLASLC6A2SLC6A4FOLH1DPP4
SCHEMBL20170038 0.82 GLA (0.54) GLASLC6A2SLC6A4SLC6A3FOLH1

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-20210292300-A1 DIMETHOXYPHENYL SUBSTITUTED INDOLE COMPOUNDS AS TLR7, TLR8 OR TLR9 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-09-23 US disclosed
US-7504403-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-03-17 US disclosed
US-7504403-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-03-17 US disclosed
US-7504403-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-03-17 US disclosed
EP-1716150-B1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2008-04-23 EP disclosed
EP-1794135-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2007-06-13 EP disclosed
EP-1716150-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2006-11-02 EP disclosed
WO-2006037117-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2006-04-06 WO disclosed
US-20060069110-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2006-03-30 US disclosed
US-20050187223-A1 Substituted heterocyclic compounds and methods of use AMGEN, INC. 2005-08-25 US disclosed
WO-2005070932-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2005-08-04 WO 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 (3 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-20210292300-A1 DIMETHOXYPHENYL SUBSTITUTED INDOLE COMPOUNDS AS TLR7, TLR8 OR TLR9 INHIBITORS TLR9, TLR7, TLR8 GLA 4660/4885PNMT 1301/4885TAAR1 191/4885
US-20050187223-A1 Substituted heterocyclic compounds and methods of use MYLK2, MUSK, MAPT GLA 1653/4885PNMT 2264/4885TAAR1 2835/4885
US-20060069110-A1 Substituted heterocyclic compounds and methods of use MAPT, MYLK2, IAPP GLA 1588/4885PNMT 2706/4885TAAR1 2950/4885

“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.