SCHEMBL784135

SCHEMBL784135

Cc1cc(N2CCC(N(C)C(=O)c3ccc4c(c3)[C@H](NC(=O)C3CCCC3)CC4)CC2)nc(C)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
ALDH1A1 P00352 1/20 0.44
USP2 O75604 3/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TAF1 P21675 1/20 0.40
CECR2 Q9BXF3 1/20 0.40
BRD9 Q9H8M2 1/20 0.40
MAPT P10636 3/20 0.40
WDR5 P61964 7/20 0.38
POLB P06746 2/20 0.37
TLR9 Q9NR96 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36

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
SCHEMBL785770 0.93 USP2 (0.40) TSHRALDH1A1USP2HPGDSMN1; SMN2
SCHEMBL785459 0.88 TSHR (0.41) TSHRALDH1A1USP2HPGDSMN1; SMN2
SCHEMBL785297 0.88 TAF1 (0.42) TSHRALDH1A1TAF1CECR2BRD9
SCHEMBL784202 0.88 TAF1 (0.41) TSHRALDH1A1TAF1CECR2BRD9
SCHEMBL785124 0.87 TAF1 (0.40) TSHRALDH1A1USP2HPGDSMN1; SMN2
SCHEMBL785476 0.87 TAF1 (0.41) TSHRALDH1A1TAF1CECR2BRD9
SCHEMBL27902670 0.86 TAF1 (0.43) ALDH1A1TAF1CECR2BRD9MAPT
SCHEMBL785264 0.85 TLR9 (0.41) TSHRALDH1A1USP2HPGDSMN1; SMN2
SCHEMBL785285 0.85 TAF1 (0.41) ALDH1A1USP2HPGDSMN1; SMN2TAF1
SCHEMBL784161 0.85 ALDH1A1 (0.41) TSHRALDH1A1USP2HPGDSMN1; SMN2

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 586/4885ALDH1A1 1267/4885USP2 4270/4885

“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.