SCHEMBL785550

SCHEMBL785550

Cc1ncc2n1C(=O)N(C1CCC(N(C)C(=O)c3ccc4c(c3)C(NC(=O)c3ccccc3Cl)CC4)CC1)C2

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
TAS1R3 Q7RTX0 5/20 0.38
TAS1R1 Q7RTX1 5/20 0.38
TAS1R2 Q8TE23 4/20 0.38
F10 P00742 4/20 0.36
F2 P00734 2/20 0.36
PDE2A O00408 1/20 0.36
WDR5 P61964 1/20 0.35
SPR P35270 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
BRD4 O60885 1/20 0.34
SPTLC2 O15270 1/20 0.33
BTK Q06187 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
SCHEMBL785928 0.88 PDE10A (0.34) F10F2PDE2AWDR5SPR
SCHEMBL784681 0.82 F10 (0.36) ALDH1A1F10F2WDR5HPGD
SCHEMBL785551 0.78 ALDH1A1 (0.39) ALDH1A1TAS1R3TAS1R1TAS1R2HPGD
SCHEMBL775022 0.78 ALDH1A1 (0.39) ALDH1A1TAS1R3TAS1R1TAS1R2WDR5
SCHEMBL785015 0.78 ALDH1A1 (0.49) ALDH1A1TAS1R3TAS1R1TAS1R2HPGD
SCHEMBL785014 0.78 ALDH1A1 (0.49) ALDH1A1TAS1R3TAS1R1TAS1R2HPGD
SCHEMBL784153 0.77 ALDH1A1 (0.37) ALDH1A1TAS1R3TAS1R1TAS1R2PDE2A
SCHEMBL785471 0.77 ALDH1A1 (0.46) ALDH1A1TAS1R3TAS1R1TAS1R2HPGD
SCHEMBL785919 0.77 ALDH1A1 (0.47) ALDH1A1TAS1R3TAS1R1TAS1R2HPGD
SCHEMBL785699 0.77 ALDH1A1 (0.45) ALDH1A1TAS1R3TAS1R1TAS1R2HPGD

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 3 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-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 ALDH1A1 1267/4885TAS1R3 202/4885TAS1R1 75/4885

“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.