SCHEMBL3064841

SCHEMBL3064841

O=C(Cn1ccc2ccc(N3Cc4cccc(Cl)c4C3=O)cc21)N1CCC2(CC1)CCN(c1ccncc1)CC2

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 1/20 0.65
ITGB3 P05106 8/20 0.42
ITGA2B P08514 8/20 0.42
CYP3A4 P08684 5/20 0.41
CYP2C9 P11712 5/20 0.41
TSHR P16473 4/20 0.41
CYP2D6 P10635 4/20 0.41
HIF1A Q16665 3/20 0.39
CYP1A2 P05177 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP2C19 P33261 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
MAPK1 P28482 1/20 0.36
USP2 O75604 1/20 0.36

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
SCHEMBL3060336 0.95 BDKRB1 (0.61) BDKRB1ITGB3ITGA2BCYP3A4CYP2C9
SCHEMBL3050620 0.93 BDKRB1 (0.63) BDKRB1ITGB3ITGA2BCYP3A4CYP2C9
SCHEMBL3057224 0.91 BDKRB1 (0.53) BDKRB1ITGB3ITGA2BCYP3A4CYP2C9
SCHEMBL3052388 0.88 BDKRB1 (0.50) BDKRB1ITGB3ITGA2BCYP3A4CYP2C9
SCHEMBL3063056 0.86 BDKRB1 (0.50) BDKRB1ITGB3ITGA2BCYP3A4CYP2C9
SCHEMBL3050577 0.86 BDKRB1 (0.60) BDKRB1ITGB3ITGA2BCYP3A4CYP2C9
SCHEMBL3052581 0.85 BDKRB1 (0.53) BDKRB1CYP3A4CYP2C19
SCHEMBL3050485 0.84 BDKRB1 (0.45) BDKRB1CYP3A4TSHRALDH1A1CYP2C19
SCHEMBL3057197 0.84 BDKRB1 (0.45) BDKRB1ITGB3ITGA2BCYP3A4CYP2C19
SCHEMBL3047488 0.82 BDKRB1 (0.43) BDKRB1CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222324-A1 Substituted Indole Compounds GRUENENTHAL GMBH (DE) 2010-09-02 US claimed
US-8492559-B2 Substituted indole compounds GRUENENTHAL GMBH (DE) 2013-07-23 US disclosed
US-8492559-B2 Substituted indole compounds GRUENENTHAL GMBH (DE) 2013-07-23 US disclosed
US-8492559-B2 Substituted indole compounds GRUENENTHAL GMBH (DE) 2013-07-23 US disclosed
US-20100222324-A1 Substituted Indole Compounds GRUENENTHAL GMBH (DE) 2010-09-02 US disclosed
US-20100222324-A1 Substituted Indole Compounds GRUENENTHAL GMBH (DE) 2010-09-02 US disclosed
US-20100222324-A1 Substituted Indole Compounds GRUENENTHAL GMBH (DE) 2010-09-02 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 (1 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-20100222324-A1 Substituted Indole Compounds BDKRB1, BDKRB2, EDNRB BDKRB1 1/4885ITGB3 4466/4885ITGA2B 3931/4885

“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.