SCHEMBL13375914

SCHEMBL13375914

Cc1nnc(C2CCCN2C(=O)Nc2ccc(Br)cc2)n1Cc1ccc(Cl)cc1

nearest known ligand 0.80

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 16/20 0.80
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ TRPV1 Q8NER1 1/20 0.43

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
SCHEMBL13375092 1.00 CCR1 (0.80) CCR1SMN1; SMN2NPC1RAB9ATRPV1
SCHEMBL3843695 0.95 CCR1 (0.88) CCR1SMN1; SMN2NPC1RAB9ATRPV1
SCHEMBL3843689 0.95 CCR1 (0.88) CCR1SMN1; SMN2NPC1RAB9ATRPV1
SCHEMBL18776054 0.93 CCR1 (0.83) CCR1SMN1; SMN2NPC1RAB9A
SCHEMBL13375211 0.91 CCR1 (0.80) CCR1SMN1; SMN2NPC1RAB9ATRPV1
SCHEMBL3849054 0.89 CCR1 (1.00) CCR1SMN1; SMN2
SCHEMBL13375038 0.89 CCR1 (0.87) CCR1SMN1; SMN2TRPV1
SCHEMBL3849058 0.89 CCR1 (1.00) CCR1SMN1; SMN2
SCHEMBL18776066 0.88 CCR1 (0.76) CCR1NPC1RAB9A
SCHEMBL13375331 0.88 CCR1 (0.77) CCR1SMN1; SMN2TRPV1

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 1/4885SMN1; SMN2 2159/4885NPC1 1954/4885

“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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