SCHEMBL3056950

SCHEMBL3056950

CC(Cn1ccc2ccc(N)cc21)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 11/20 0.48
HTR2A P28223 10/20 0.48
NTSR1 P30989 2/20 0.47
APAF1 O14727 2/20 0.42
ITGB3 P05106 1/20 0.41
ITGAV P06756 1/20 0.41
KMO O15229 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
HTR2B P41595 1/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
APOBEC3A P31941 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
APOBEC3G Q9HC16 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
SCHEMBL7258385 0.83 HTR2C (0.50) HTR2CHTR2ANTSR1APAF1ITGB3
SCHEMBL15712674 0.82 HTR2C (0.55) HTR2CHTR2ANTSR1CYP1A2CYP3A4
SCHEMBL2869168 0.77 KMT2A (0.60) NTSR1KMOKDM4EALDH1A1POLB
SCHEMBL13139567 0.76 NTSR1 (0.45) HTR2CHTR2ANTSR1KMOCYP3A4
SCHEMBL3353214 0.74 LMNA (0.44) HTR2CHTR2ANTSR1KMOCYP3A4
SCHEMBL3345985 0.73 PRKCI (0.44) HTR2CHTR2ACYP1A2CYP3A4CYP2C9
SCHEMBL3354522 0.72 GRIN2B (0.45) NTSR1CYP2C9
SCHEMBL3355234 0.72 KDM4E (0.48) NTSR1CYP3A4CYP2C9KDM4EALDH1A1
SCHEMBL3354646 0.72 NTSR1 (0.51) NTSR1CYP3A4CYP2C9KDM4EALDH1A1
SCHEMBL3061732 0.71 HTR2A (0.43) HTR2CHTR2ANTSR1APAF1ITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 HTR2C 221/4885HTR2A 85/4885NTSR1 23/4885

“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.