Sugi Predict

Sugi Predict / Compounds / SCHEMBL775022

SCHEMBL775022

SCHEMBL775022

CN(C(=O)c1ccc2c(c1)[C@H](NC(=O)c1ccccc1Cl)CC2)C1CCC(N2CCc3cnccc3C2)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

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
▸ WDR5 P61964 2/20 0.36
▸ SPTLC2 O15270 2/20 0.35
▸ CHRNB2 P17787 1/20 0.35
▸ CHRNA7 P36544 1/20 0.35
▸ CHRNA4 P43681 1/20 0.35
▸ ROCK2 O75116 1/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ HPGD P15428 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ NAMPT P43490 1/20 0.34
▸ ADRA1A P35348 1/20 0.34

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
SCHEMBL784153 0.85 ALDH1A1 (0.37) ALDH1A1TAS1R3TAS1R1TAS1R2WDR5
SCHEMBL785471 0.82 ALDH1A1 (0.46) ALDH1A1TAS1R3TAS1R1TAS1R2SPTLC2
SCHEMBL777867 0.82 ALDH1A1 (0.43) ALDH1A1TAS1R3TAS1R1TAS1R2SPTLC2
SCHEMBL784261 0.82 ALDH1A1 (0.43) ALDH1A1TAS1R3TAS1R1TAS1R2SPTLC2
SCHEMBL784081 0.82 ALDH1A1 (0.43) ALDH1A1TAS1R3TAS1R1TAS1R2SPTLC2
SCHEMBL785699 0.82 ALDH1A1 (0.45) ALDH1A1TAS1R3TAS1R1TAS1R2SPTLC2
SCHEMBL784907 0.81 WDR5 (0.43) ALDH1A1TAS1R3TAS1R1TAS1R2WDR5
SCHEMBL784402 0.81 CTSS (0.40) ALDH1A1TAS1R3TAS1R1TAS1R2WDR5
SCHEMBL785417 0.80 ALDH1A1 (0.39) ALDH1A1TAS1R3TAS1R1TAS1R2WDR5
SCHEMBL784830 0.80 ALDH1A1 (0.43) ALDH1A1TAS1R3TAS1R1TAS1R2SPTLC2

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 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.