SCHEMBL784555

SCHEMBL784555

CN(C(=O)c1ccc2c(c1)[C@H](NC(=O)C1CCOCC1)CC2)C1CCN(c2ccncc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.38
MCHR1 Q99705 2/20 0.37
DRD2 P14416 2/20 0.37
F10 P00742 5/20 0.37
KDM4E B2RXH2 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
POLB P06746 1/20 0.36
CCR5 P51681 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HTR1A P08908 1/20 0.35
HTR2A P28223 1/20 0.35
KCNH2 Q12809 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
SCHEMBL785875 0.95 MCHR1 (0.39) MCHR1DRD2F10JAK2JAK1
SCHEMBL784410 0.93 POLB (0.41) MCHR1DRD2F10POLBCCR5
SCHEMBL784304 0.92 POLB (0.42) NAMPTMCHR1F10POLBCCR5
SCHEMBL784119 0.91 F10 (0.39) DRD2F10KDM4EJAK2JAK1
SCHEMBL784957 0.90 CTSS (0.43) F10POLB
SCHEMBL785767 0.88 CTSS (0.42) F10POLBCCR5
SCHEMBL786234 0.88 CCR5 (0.40) MCHR1DRD2F10JAK2JAK1
SCHEMBL784775 0.86 P2RX7 (0.39) MCHR1F10JAK2JAK1POLB
SCHEMBL785091 0.86 ACHE (0.43) MCHR1DRD2F10JAK2JAK1
SCHEMBL784857 0.85 CA12 (0.46) NAMPTMCHR1F10KDM4EPOLB

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 NAMPT 3344/4885MCHR1 363/4885DRD2 64/4885

“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.