SCHEMBL803786

SCHEMBL803786

NCC1CCCN(c2ccncc2)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.52
PIM1 P11309 2/20 0.46
PIM3 Q86V86 1/20 0.46
PIM2 Q9P1W9 1/20 0.46
ROCK2 O75116 2/20 0.46
ROCK1 Q13464 2/20 0.46
BPTF Q12830 1/20 0.46
CDC42BPA Q5VT25 1/20 0.46
CDC42BPB Q9Y5S2 1/20 0.46
CDK4 P11802 2/20 0.44
RPS6KB1 P23443 1/20 0.44
PBK Q96KB5 1/20 0.43
ADRB2 P07550 1/20 0.40
NCF1 P14598 1/20 0.40
PLD1 Q13393 1/20 0.40
PTPN11 Q06124 1/20 0.39
CSNK2A2 P19784 1/20 0.39
CSNK2A1 P68400 1/20 0.39
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38

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
Hydrochloric Acid SCHEMBL785376 0.98 CHKA (0.50) CHKAPIM1PIM3PIM2ROCK2
SCHEMBL6958119 0.85 CHKA (0.46) CHKAPIM1PIM3PIM2ROCK2
SCHEMBL18082917 0.84 CHKA (0.52) CHKAADRB2NCF1PLD1DRD2
SCHEMBL12424616 0.84 CHKA (0.52) CHKAADRB2NCF1PLD1DRD2
SCHEMBL10177756 0.83 BPTF (0.55) ROCK2ROCK1BPTFCDC42BPACDC42BPB
SCHEMBL5053498 0.83 CHKA (0.47) CHKAROCK2ROCK1BPTFADRB2
SCHEMBL10178052 0.80 NOTUM (0.49) BPTFPTPN11CYP3A4
SCHEMBL28179896 0.80 CHKA (0.47) CHKAPIM1PIM3PIM2ROCK2
SCHEMBL785122 0.80 CHKA (0.53) CHKAROCK2ROCK1BPTFCDC42BPB
SCHEMBL6963247 0.79 CHKA (0.46) CHKAADRB2NCF1PLD1DRD2

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 5 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 disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
WO-2012038081-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-03-29 WO 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 CHKA 1330/4885PIM1 3331/4885PIM3 4063/4885

“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.