SCHEMBL3057197

SCHEMBL3057197

O=C(Cn1ccc2ccc(N3Cc4cccc(Cl)c4C3=O)cc21)N1CCC2(CC1)CC(c1ccncc1)=NO2

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 1/20 0.45
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
HTR2B P41595 2/20 0.34
GRM1 Q13255 2/20 0.34
GRIN2B Q13224 2/20 0.32
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL3064841 0.84 BDKRB1 (0.65) BDKRB1ITGB3ITGA2BCYP3A4CYP2C19
SCHEMBL3060336 0.81 BDKRB1 (0.61) BDKRB1ITGB3ITGA2BCYP3A4CYP2C19
SCHEMBL3052388 0.80 BDKRB1 (0.50) BDKRB1HTR2AHTR2CHTR2BGRM1
SCHEMBL3050620 0.77 BDKRB1 (0.63) BDKRB1HTR2AHTR2CHTR2BITGB3
SCHEMBL3043088 0.76 HTR2A (0.42) BDKRB1HTR2AHTR2CHTR2BGRM1
SCHEMBL3050485 0.76 BDKRB1 (0.45) BDKRB1HTR2AHTR2CHTR2BGRM1
SCHEMBL3052581 0.75 BDKRB1 (0.53) BDKRB1HTR2AHTR2CHTR2BCYP3A4
SCHEMBL3057224 0.75 BDKRB1 (0.53) BDKRB1ITGB3ITGA2BCYP3A4CYP2C19
SCHEMBL3047488 0.74 BDKRB1 (0.43) BDKRB1HTR2AHTR2CHTR2BGRM1
SCHEMBL13139563 0.74 HTR2C (0.44) BDKRB1HTR2AHTR2CHTR2BGRM1

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 1/4885HTR2A 85/4885HTR2C 221/4885

“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.