SCHEMBL783975

SCHEMBL783975

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
TAF1 P21675 3/20 0.40
CECR2 Q9BXF3 3/20 0.40
BRD9 Q9H8M2 3/20 0.40
DHODH Q02127 2/20 0.37
RAB9A P51151 1/20 0.36
MLLT3 P42568 1/20 0.36
MLLT1 Q03111 1/20 0.36
WDR5 P61964 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
CSF1R P07333 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.32
GPR6 P46095 1/20 0.32
NOD1 Q9Y239 1/20 0.32
SPR P35270 1/20 0.32

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
SCHEMBL785472 0.87 TSHR (0.45) TSHRTAF1CECR2BRD9DHODH
SCHEMBL783974 0.85 TSHR (0.40) TSHRDHODHRAB9AWDR5ALDH1A1
SCHEMBL783862 0.84 TAF1 (0.41) TSHRTAF1CECR2BRD9WDR5
SCHEMBL784169 0.81 TAF1 (0.41) TSHRTAF1CECR2BRD9WDR5
SCHEMBL785424 0.77 TAF1 (0.40) TAF1CECR2BRD9RAB9AWDR5
SCHEMBL785256 0.75 TSHR (0.55) TSHRDHODHRAB9AMLLT3MLLT1
SCHEMBL785434 0.75 TSHR (0.55) TSHRDHODHRAB9AMLLT3MLLT1
SCHEMBL785520 0.75 WDR5 (0.39) TAF1CECR2BRD9WDR5ALDH1A1
SCHEMBL785617 0.75 WDR5 (0.41) TAF1CECR2BRD9WDR5LMNA
SCHEMBL784824 0.75 WDR5 (0.40) TAF1CECR2BRD9WDR5LMNA

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 8 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-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
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 586/4885TAF1 2144/4885CECR2 888/4885

“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.