SCHEMBL12231865

SCHEMBL12231865

CCC(C)(CC)N1CCc2ccccc2NC1=O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 3/20 0.44
▸ CREBBP Q92793 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ MAPK13 O15264 1/20 0.44
▸ MAPK12 P53778 1/20 0.44
▸ MAPK11 Q15759 1/20 0.44
▸ MAPK14 Q16539 1/20 0.44
▸ MAPT P10636 1/20 0.41
▸ SIRT2 Q8IXJ6 2/20 0.39
▸ AHR P35869 1/20 0.38
▸ PDK2 Q15119 1/20 0.38
▸ HTR7 P34969 1/20 0.36
▸ ALOX5 P09917 1/20 0.35
▸ RIPK1 Q13546 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ SRC P12931 1/20 0.35
▸ PER2 O15055 1/20 0.34

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
SCHEMBL828845 0.84 BRD4 (0.49) BRD4CREBBPNPC1MAPK13MAPK12
SCHEMBL12087699 0.75 BRD4 (0.49) BRD4CREBBPNPC1MAPK13MAPK12
SCHEMBL22414473 0.74 CRBN (0.35) ALOX5
SCHEMBL2606232 0.73 BRD4 (0.68) BRD4CREBBPNPC1MAPK13MAPK12
SCHEMBL13068201 0.72 BRD4 (0.43) BRD4CREBBPNPC1MAPK13MAPK12
SCHEMBL13078127 0.71 BRD4 (0.61) BRD4CREBBPNPC1MAPK13MAPK12
SCHEMBL12253555 0.71 BRD4 (0.44) BRD4CREBBPNPC1MAPK13MAPK12
SCHEMBL13907678 0.69 NPC1 (0.53) BRD4CREBBPNPC1MAPK13MAPK12
SCHEMBL13311918 0.69 ALDH1A1 (0.48) MAPT
SCHEMBL2603742 0.69 BRD4 (0.49) BRD4CREBBPNPC1MAPK13MAPK12

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-8314117-B2 CGRP receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-20 — — US disclosed
US-20110251223-A1 CGRP Receptor Antagonists BRISTOL-MYERS SQUIBB COMPANY 2011-10-13 — — 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-20110251223-A1 CGRP Receptor Antagonists CALCRL, BDKRB2, CALCR BRD4 2493/4885CREBBP 1534/4885NPC1 1465/4885

“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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