SCHEMBL14410236

SCHEMBL14410236

CC(C)N1CCC(N2CCc3ccccc3NC2=O)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 11/20 0.46
▸ RAMP1 O60894 3/20 0.46
▸ PARP1 P09874 1/20 0.45
▸ PARP2 Q9UGN5 1/20 0.45
▸ HRH3 Q9Y5N1 2/20 0.42
▸ OPRM1 P35372 1/20 0.41
▸ OPRD1 P41143 1/20 0.41
▸ OPRK1 P41145 1/20 0.41
▸ OPRL1 P41146 1/20 0.41
▸ BRD4 O60885 1/20 0.40
▸ CREBBP Q92793 1/20 0.40
▸ CTSS P25774 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ MAPK13 O15264 1/20 0.40
▸ MAPK12 P53778 1/20 0.40
▸ MAPK11 Q15759 1/20 0.40
▸ MAPK14 Q16539 1/20 0.40
▸ PRKCG P05129 1/20 0.39
▸ PRKCB P05771 1/20 0.39
▸ PRKCA P17252 1/20 0.39

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
SCHEMBL14410174 0.88 CALCRL (0.54) CALCRLRAMP1PARP1PARP2BRD4
SCHEMBL1700379 0.86 CHRM2 (0.50) CALCRLRAMP1BRD4CREBBPNPC1
SCHEMBL14410235 0.84 CALCRL (0.51) CALCRLRAMP1PARP1PARP2OPRM1
SCHEMBL16313925 0.83 MAPT (0.47) CALCRLRAMP1OPRM1OPRD1OPRK1
SCHEMBL14410239 0.83 ESR1 (0.43) CALCRLRAMP1PARP1PARP2HRH3
SCHEMBL15144550 0.82 CALCRL (0.48) CALCRLRAMP1NPC1MAPK13MAPK12
SCHEMBL12401887 0.82 CALCRL (0.46) CALCRLRAMP1BRD4CREBBPNPC1
SCHEMBL4718744 0.81 CALCRL (0.45) CALCRLRAMP1NPC1MAPK13MAPK12
SCHEMBL13655773 0.81 CALCRL (0.44) CALCRLRAMP1BRD4CREBBPNPC1
SCHEMBL3278838 0.81 CALCRL (0.44) CALCRLRAMP1BRD4CREBBPCTSS

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-20070208036-A1 Arylalkanes, arylalkenes and aryl-azaalkanes, pharmaceutical compositions containing these compounds and processes for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-09-06 — — US disclosed
US-7230001-B1 Arylalkane, arylalkene and aryl azaalkane, medicaments containing said compounds and method for the production thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-06-12 — — 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-20070208036-A1 Arylalkanes, arylalkenes and aryl-azaalkanes, pharmaceutical compositions containing these compounds and processes for preparing them ARRB1, NPY1R, ADRB3 CALCRL 4/4885RAMP1 19/4885PARP1 2404/4885

“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.

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