SCHEMBL13375950

SCHEMBL13375950

Cc1nnc(C2CCCN2C(=O)Nc2cc(Cl)ccc2F)n1Cc1ccc(Cl)cc1

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 12/20 0.71
▸ USP30 Q70CQ3 2/20 0.46
▸ KCNT1 Q5JUK3 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ KMT2A Q03164 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ TRPV1 Q8NER1 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
SCHEMBL13375423 1.00 CCR1 (0.71) CCR1USP30KCNT1TP53KMT2A
SCHEMBL3847639 0.94 CCR1 (0.70) CCR1USP30TP53KMT2ASMN1; SMN2
SCHEMBL3847644 0.94 CCR1 (0.70) CCR1USP30TP53KMT2ASMN1; SMN2
SCHEMBL13375274 0.92 CCR1 (0.66) CCR1USP30TP53SMN1; SMN2TRPV1
SCHEMBL13375431 0.92 CCR1 (0.68) CCR1USP30TP53SMN1; SMN2TRPV1
SCHEMBL13375291 0.92 CCR1 (0.65) CCR1USP30TP53SMN1; SMN2
SCHEMBL13375427 0.91 CCR1 (0.67) CCR1TP53
SCHEMBL13375280 0.91 CCR1 (0.64) CCR1USP30KMT2ASMN1; SMN2
SCHEMBL13375378 0.91 CCR1 (0.64) CCR1USP30KCNT1TP53
SCHEMBL13375298 0.91 CCR1 (0.64) CCR1USP30TP53SMN1; 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 2 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
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 CCR1 1/4885USP30 2172/4885KCNT1 1161/4885

“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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