SCHEMBL784149

SCHEMBL784149

CN(C(=O)c1ccc2c(c1)CCC2NC(=O)c1cncnc1)C1CCN(c2ccncc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.38
F10 P00742 3/20 0.37
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37
HTR2A P28223 1/20 0.37
KCNH2 Q12809 1/20 0.37
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
AURKA O14965 1/20 0.36
CCR5 P51681 1/20 0.35
MCHR1 Q99705 1/20 0.35
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL784472 0.93 CTSS (0.41) ROCK2F10HTR1ADRD2HTR2A
SCHEMBL784342 0.93 CTSS (0.41) ROCK2F10HTR1ADRD2HTR2A
SCHEMBL785199 0.88 CTSS (0.47) ALDH1A1TSHRMAPTSMN1; SMN2CTSS
SCHEMBL784482 0.87 TAS1R3 (0.43) ROCK2F10PDE4APDE4BPDE4C
SCHEMBL785130 0.85 RBP4 (0.37) ROCK2F10ALDH1A1AURKANPC1
SCHEMBL785404 0.85 TAS1R3 (0.44) F10ALDH1A1TSHRTAS1R3TAS1R1
SCHEMBL785698 0.85 TAS1R3 (0.44) F10ALDH1A1TSHRTAS1R3TAS1R1
SCHEMBL784857 0.84 CA12 (0.46) ROCK2F10ALDH1A1TSHRCCR5
SCHEMBL785127 0.84 F10 (0.38) ROCK2F10AURKACCR5MCHR1
SCHEMBL785681 0.84 TAS1R3 (0.42) ROCK2F10ALDH1A1NPC1RAB9A

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 3995/4885F10 524/4885HTR1A 94/4885

“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.