SCHEMBL785016

SCHEMBL785016

CC(C)N(C(=O)c1ccc(F)cc1Cl)[C@@H]1CCc2cc(F)c(C(=O)N(C)C3CCN(c4ccncc4)CC3)cc21

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.39
PDK2 Q15119 5/20 0.36
ALDH1A1 P00352 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
NPY5R Q15761 2/20 0.34
SMO Q99835 1/20 0.34
NR1H2 P55055 2/20 0.34
NR1H3 Q13133 2/20 0.34
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
GHSR Q92847 1/20 0.33
PARP1 P09874 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
SCHEMBL784137 0.92 HPGD (0.41) F10NPY5R
SCHEMBL785001 0.90 F10 (0.38) F10PDK2ALDH1A1SLC6A2SLC6A4
SCHEMBL784054 0.90 HPGD (0.41) F10NPY5R
SCHEMBL785487 0.85 TAF1 (0.40) PDK2ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL785537 0.81 F10 (0.39) F10
SCHEMBL784980 0.80 SLC6A2 (0.42) PDK2ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL803560 0.80 SLC6A2 (0.42) PDK2ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL785389 0.80 F10 (0.38) F10ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL803510 0.78 SLC6A2 (0.41) PDK2ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL784879 0.76 F10 (0.39) F10SMO

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 F10 524/4885PDK2 2401/4885ALDH1A1 1267/4885

“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.