SCHEMBL784827

SCHEMBL784827

Cc1cccc(C)c1C(=O)NC1CC(C)(C)c2ccc(C(=O)N(C)C3CCN(c4ccncc4)CC3)cc21

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.37
ALDH1A1 P00352 1/20 0.37
ALOX15 P16050 1/20 0.37
JAK2 O60674 5/20 0.35
JAK1 P23458 5/20 0.35
CCR5 P51681 2/20 0.35
F10 P00742 3/20 0.35
SLC6A9 P48067 2/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34
NPY5R Q15761 2/20 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
SCHEMBL785791 0.87 ALDH1A1 (0.41) ROCK2ALDH1A1ALOX15JAK2JAK1
SCHEMBL785099 0.87 SETD2 (0.38) ALDH1A1ALOX15F10NPY5R
SCHEMBL784362 0.87 ALDH1A1 (0.38) ROCK2ALDH1A1ALOX15JAK2JAK1
SCHEMBL785219 0.87 TAS1R3 (0.43) ROCK2JAK2JAK1CCR5F10
SCHEMBL784148 0.86 RORC (0.41) ROCK2F10
SCHEMBL785712 0.86 F10 (0.37) ROCK2ALDH1A1ALOX15JAK2CCR5
SCHEMBL784500 0.86 ALDH1A1 (0.39) ROCK2ALDH1A1ALOX15JAK2JAK1
SCHEMBL785090 0.86 BDKRB1 (0.40) ALDH1A1ALOX15CCR5F10
SCHEMBL785228 0.85 TAS1R3 (0.50) ALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL784482 0.84 TAS1R3 (0.43) ROCK2JAK2JAK1CCR5F10

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 4 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-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 ROCK2 3995/4885ALDH1A1 1267/4885ALOX15 2120/4885

“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.