SCHEMBL803087

SCHEMBL803087

CC(C)(C)CC1CCN(Cc2ccncc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.49
CCR3 P51677 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
HIF1A Q16665 1/20 0.46
EPAS1 Q99814 1/20 0.46
TRPV6 Q9H1D0 1/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45
HPGD P15428 1/20 0.44

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
SCHEMBL803095 0.91 HSD11B1 (0.47) ACHECCR3SIGMAR1HIF1AEPAS1
SCHEMBL803462 0.83 CCR3 (0.67) ACHECCR3SIGMAR1ALDH1A1
SCHEMBL19160313 0.83 KDM4E (0.49) ACHECCR3SIGMAR1TRPV6KDM4E
SCHEMBL20314493 0.82 HRH3 (0.49) ACHECCR3ALDH1A1
SCHEMBL14768798 0.82 CXCR4 (0.47) ACHECCR3SIGMAR1HIF1AEPAS1
SCHEMBL803401 0.82 MAPT (0.49) KDM4EMEN1ALDH1A1KMT2A
SCHEMBL803669 0.82 CHRNB2 (0.60) ACHESIGMAR1TRPV6KDM4EALDH1A1
SCHEMBL4700460 0.81 ACHE (0.49) ACHECCR3SIGMAR1HIF1AEPAS1
SCHEMBL4700463 0.81 ACHE (0.49) ACHECCR3SIGMAR1HIF1AEPAS1
SCHEMBL17030671 0.81 MEN1 (0.56) ACHESIGMAR1HIF1AEPAS1KDM4E

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 2 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-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 ACHE 746/4885CCR3 517/4885SIGMAR1 369/4885

“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.