SCHEMBL4858955

SCHEMBL4858955

O=C(CCBr)NC1CCOc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.45
▸ CNR2 P34972 1/20 0.45
▸ TRPV1 Q8NER1 2/20 0.45
▸ P2RX7 Q99572 7/20 0.45
▸ BRD4 O60885 2/20 0.44
▸ CREBBP Q92793 2/20 0.44
▸ BDKRB1 P46663 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
SCHEMBL4861089 0.83 ALDH1A1 (0.58) CNR1CNR2TRPV1P2RX7BDKRB1
SCHEMBL7469538 0.81 ALDH1A1 (0.46) CNR1CNR2
SCHEMBL4226632 0.81 TRPV1 (0.54) CNR1CNR2TRPV1BRD4CREBBP
SCHEMBL4226634 0.81 TRPV1 (0.54) CNR1CNR2TRPV1BRD4CREBBP
SCHEMBL22454626 0.80 HSD17B10 (0.50) CNR1CNR2TRPV1P2RX7BRD4
SCHEMBL600126 0.80 DRD2 (0.49) CNR1CNR2TRPV1P2RX7BDKRB1
SCHEMBL600125 0.80 DRD2 (0.49) CNR1CNR2TRPV1P2RX7BDKRB1
SCHEMBL27125516 0.79 TRPV1 (0.50) CNR1CNR2TRPV1BRD4CREBBP
SCHEMBL26962614 0.79 TRPV1 (0.50) CNR1CNR2TRPV1BRD4CREBBP
SCHEMBL20622055 0.78 TRPV1 (0.49) CNR1CNR2TRPV1P2RX7BRD4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7407960-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2008-08-05 — — US disclosed
EP-1806346-A1 Substituted piperazine compounds and their use as fatty acid oxidation inhibitors CV THERAPEUTICS, INC. (US) 2007-07-11 — — EP disclosed
US-20070004751-A1 Substituted heterocyclic compounds ELZEIN ELFATIH 2007-01-04 — — US disclosed
US-7125876-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2006-10-24 — — US disclosed
EP-1567525-A2 SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS, INC. (US) 2005-08-31 — — EP disclosed
US-20040152890-A1 Substituted heterocyclic compounds CV THERAPEUTICS, INC. 2004-08-05 — — US disclosed
WO-2004052887-A2 SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS, INC. (US) 2004-06-24 — — WO 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 (2 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-20040152890-A1 Substituted heterocyclic compounds KCNH1, SDHA, COQ8A CNR1 625/4885CNR2 841/4885TRPV1 232/4885
US-20070004751-A1 Substituted heterocyclic compounds KCNH1, SDHA, COQ8A CNR1 769/4885CNR2 998/4885TRPV1 259/4885

“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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