SCHEMBL783974

SCHEMBL783974

Cc1cc(N2CCC(CNC(=O)c3cc4c(cc3F)[C@H](NC(=O)c3cc(C)on3)CC4)CC2)nc(C)n1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
DHODH Q02127 2/20 0.37
AR P10275 2/20 0.37
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
ACACB O00763 5/20 0.35
ACACA Q13085 5/20 0.35
POLB P06746 1/20 0.34
WDR5 P61964 1/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 1/20 0.34
NOD1 Q9Y239 2/20 0.33
NAPEPLD Q6IQ20 1/20 0.33

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
SCHEMBL783975 0.85 TSHR (0.40) TSHRDHODHRAB9AALDH1A1LMNA
SCHEMBL785256 0.75 TSHR (0.55) TSHRDHODHRAB9AALDH1A1LMNA
SCHEMBL785434 0.75 TSHR (0.55) TSHRDHODHRAB9AALDH1A1LMNA
SCHEMBL785472 0.75 TSHR (0.45) TSHRDHODHPOLBWDR5
SCHEMBL803183 0.74 TSHR (0.53) TSHRDHODHRAB9AALDH1A1LMNA
SCHEMBL790602 0.70 F10 (0.39) TSHRALDH1A1WDR5
SCHEMBL783862 0.69 TAF1 (0.41) TSHRALDH1A1LMNAWDR5KMT2A
SCHEMBL17592894 0.66 SMYD3 (0.60) RAB9A
SCHEMBL784169 0.66 TAF1 (0.41) TSHRALDH1A1LMNAWDR5KMT2A
SCHEMBL784191 0.66 BDKRB1 (0.42) ALDH1A1WDR5

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 claimed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US claimed
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

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 1180/4885AR 753/4885

“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.