Sugi Predict

Sugi Predict / Compounds / SCHEMBL784962

SCHEMBL784962

SCHEMBL784962

Cc1cc(N2CCC(N(C)C(=O)c3cc4c(cc3F)[C@H](NC(=O)c3ccccc3Cl)CC4)CC2)ncn1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 8/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ TAS1R3 Q7RTX0 2/20 0.38
▸ TAS1R1 Q7RTX1 2/20 0.38
▸ TAS1R2 Q8TE23 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ TAF1 P21675 2/20 0.37
▸ CECR2 Q9BXF3 2/20 0.37
▸ BRD9 Q9H8M2 2/20 0.37
▸ PDE2A O00408 1/20 0.37
▸ PAK1 Q13153 1/20 0.36
▸ WDR5 P61964 1/20 0.35
▸ CNR1 P21554 1/20 0.35

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
SCHEMBL783862 0.90 TAF1 (0.41) ALDH1A1TAS1R3TAS1R1TAS1R2KMT2A
SCHEMBL785049 0.89 ALDH1A1 (0.41) GHSRALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL784169 0.87 TAF1 (0.41) ALDH1A1TAS1R3TAS1R1TAS1R2KMT2A
SCHEMBL784889 0.85 BDKRB1 (0.42) ALDH1A1TAS1R3TAS1R1TAS1R2KMT2A
SCHEMBL784161 0.78 ALDH1A1 (0.41) ALDH1A1TAS1R3TAS1R1TAS1R2KMT2A
SCHEMBL785289 0.78 ALDH1A1 (0.41) ALDH1A1TAS1R3TAS1R1TAS1R2KMT2A
SCHEMBL785526 0.77 GBA1 (0.42) ALDH1A1TAS1R3TAS1R1TAS1R2KMT2A
SCHEMBL785226 0.77 GBA1 (0.42) ALDH1A1TAS1R3TAS1R1TAS1R2KMT2A
SCHEMBL784826 0.77 MEN1 (0.44) ALDH1A1TAS1R3TAS1R1TAS1R2KMT2A
SCHEMBL784478 0.77 ALDH1A1 (0.41) ALDH1A1TAS1R3TAS1R1TAS1R2KMT2A

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 GHSR 600/4885ALDH1A1 1267/4885TAS1R3 202/4885

“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.