SCHEMBL803183

SCHEMBL803183

COC(=O)c1cc2c(cc1F)[C@H](NC(=O)c1cc(C)on1)CC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
DHODH Q02127 1/20 0.45
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
RAB9A P51151 2/20 0.42
POLB P06746 2/20 0.42
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
MLLT3 P42568 1/20 0.40
MLLT1 Q03111 1/20 0.40
HPGD P15428 2/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PDE10A Q9Y233 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 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
SCHEMBL785256 0.89 TSHR (0.55) TSHRDHODHALDH1A1LMNARAB9A
SCHEMBL785434 0.89 TSHR (0.55) TSHRDHODHALDH1A1LMNARAB9A
SCHEMBL785095 0.82 TSHR (0.60) TSHRDHODHALDH1A1LMNARAB9A
SCHEMBL785096 0.82 TSHR (0.60) TSHRDHODHALDH1A1LMNARAB9A
SCHEMBL785279 0.75 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1PDE10A
SCHEMBL785280 0.75 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1PDE10A
SCHEMBL785379 0.75 TSHR (0.62) TSHRDHODHPOLBKMT2AMLLT3
SCHEMBL785528 0.75 TSHR (0.62) TSHRDHODHPOLBKMT2AMLLT3
SCHEMBL783975 0.74 TSHR (0.40) TSHRDHODHALDH1A1LMNARAB9A
SCHEMBL783974 0.74 TSHR (0.40) TSHRDHODHALDH1A1LMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 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-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 TSHR 586/4885DHODH 1180/4885ALDH1A1 1267/4885

“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.