SCHEMBL4363430

SCHEMBL4363430

COc1ccc2c(c1)c(C(=O)O)c(C)n2Cc1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 10/20 0.79
KDM4E B2RXH2 3/20 0.73
PLA2G1B P04054 1/20 0.71
ALDH1A1 P00352 3/20 0.69
TSHR P16473 2/20 0.69
HSD17B10 Q99714 1/20 0.67
KMT2A Q03164 2/20 0.66
MEN1 O00255 1/20 0.66
POLB P06746 1/20 0.66
MAPK1 P28482 1/20 0.65
GAA P10253 1/20 0.63
MAPT P10636 1/20 0.63
PKM P14618 1/20 0.63
HTT P42858 1/20 0.62

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
SCHEMBL7699327 0.90 ALDH1A1 (0.78) PLA2G2AKDM4EPLA2G1BALDH1A1TSHR
SCHEMBL7676057 0.89 LTB4R (0.67) PLA2G2AKDM4EALDH1A1POLBGAA
SCHEMBL10840421 0.88 PLA2G2A (0.62) PLA2G2AKDM4EPLA2G1BALDH1A1TSHR
SCHEMBL336644 0.84 PLA2G2A (0.61) PLA2G2AKDM4EPLA2G1BALDH1A1TSHR
SCHEMBL290852 0.83 GAA (0.79) PLA2G2AKDM4EALDH1A1TSHRHSD17B10
SCHEMBL6820689 0.83 PLA2G2A (0.68) PLA2G2APLA2G1BALDH1A1TSHRKMT2A
SCHEMBL7963016 0.83 PLA2G2A (1.00) PLA2G2AKDM4EPLA2G1BALDH1A1TSHR
SCHEMBL3388126 0.82 PLA2G2A (0.68) PLA2G2AKDM4EALDH1A1TSHRKMT2A
SCHEMBL10778316 0.82 MAPT (0.59) PLA2G2AKDM4EALDH1A1TSHRKMT2A
SCHEMBL612585 0.81 POLB (0.62) PLA2G2AKDM4EALDH1A1TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629353-B2 Indol-3-yl-carbonyl-spiro-piperidine derivatives as V1a receptor antagonists HOFFMAN-LA ROCHE INC. (US) 2009-12-08 US disclosed
EP-1904477-B1 INDOL-3-CARBONYL-SPIRO-PIPERIDINE DERIVATIVES AS V1A RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2009-01-21 EP disclosed
US-20080146557-A1 INDOL-3-YL-CARBONYL-SPIRO-PIPERIDINE DERIVATIVES AS VIa RECEPTOR ANTAGONISTS BISSANTZ CATERINA 2008-06-19 US disclosed
US-7332501-B2 Indol-3-yl-carbonyl-spiro-piperidine derivatives as V1a receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2008-02-19 US disclosed
US-20070027173-A1 Indol-3-yl-carbonyl-spiro-piperidine derivatives as Vla receptor antagonists F. HOFFMANN-LA ROCHE AG (CH) 2007-02-01 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 (2 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-20070027173-A1 Indol-3-yl-carbonyl-spiro-piperidine derivatives as Vla receptor antagonists AVPR1A, AVPR2, AVPR1B PLA2G2A 2345/4885KDM4E 3141/4885PLA2G1B 3360/4885
US-20080146557-A1 INDOL-3-YL-CARBONYL-SPIRO-PIPERIDINE DERIVATIVES AS VIa RECEPTOR ANTAGONISTS AVPR1A, AVPR2, OXTR PLA2G2A 3693/4885KDM4E 3012/4885PLA2G1B 4239/4885

“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.