SCHEMBL3853435

SCHEMBL3853435

CC1(C)CC(N=C=O)c2ccccc2O1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 7/20 0.35
PFKFB3 Q16875 1/20 0.35
KCNE1 P15382 1/20 0.35
KCNQ1 P51787 1/20 0.35
LMNA P02545 1/20 0.34
KMT2A Q03164 2/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HTR2B P41595 1/20 0.33
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL15045822 0.76 TRPV1 (0.33) TRPV1PFKFB3LMNAKMT2ATSHR
SCHEMBL24075724 0.72 ALDH1A1 (0.42) TRPV1LMNAKMT2ATSHRSMN1; SMN2
SCHEMBL13257631 0.72 ALDH1A1 (0.42) TRPV1LMNAKMT2ATSHRSMN1; SMN2
SCHEMBL23746634 0.72 ALDH1A1 (0.42) TRPV1LMNAKMT2ATSHRSMN1; SMN2
SCHEMBL31253977 0.70 MEN1 (0.43) TRPV1KCNE1KCNQ1LMNAKMT2A
SCHEMBL22997112 0.70 TRPV1 (0.37) TRPV1LMNAKMT2ATSHRSMN1; SMN2
SCHEMBL15021653 0.70 MEN1 (0.43) TRPV1KCNE1KCNQ1LMNAKMT2A
SCHEMBL3580439 0.70 MEN1 (0.43) TRPV1KCNE1KCNQ1LMNAKMT2A
SCHEMBL29757492 0.70 TRPV1 (0.37) TRPV1LMNAKMT2ATSHRSMN1; SMN2
SCHEMBL1237664 0.70 TRPV1 (0.37) TRPV1LMNAKMT2ATSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288371-B2 Ortho pyrrolidine, benzyl-substituted heterocycle CCR1 antagonists for autoimmune diseases and inflammation PHARMACOPEIA, LLC (US) 2012-10-16 US disclosed
WO-2009082526-A2 ORTHO PYRROLIDINE, BENZYL-SUBSTITUTED HETEROCYCLE CCR1 ANTAGONISTS FOR AUTOIMMUNE DISEASES & INFLAMMATION PHARMACOPEIA, INC. (US) 2009-07-02 WO disclosed
US-20090093472-A1 ORTHO PYRROLIDINE, BENZYL-SUBSTITUTED HETEROCYCLE CCR1 ANTAGONISTS FOR AUTOIMMUNE DISEASES & INFLAMMATION PHARMACOPEIA, INC. (US) 2009-04-09 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-20090093472-A1 ORTHO PYRROLIDINE, BENZYL-SUBSTITUTED HETEROCYCLE CCR1 ANTAGONISTS FOR AUTOIMMUNE DISEASES & INFLAMMATION CCR1, CCR4, CCR3 TRPV1 72/4885PFKFB3 4570/4885KCNE1 2823/4885

“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.