SCHEMBL13375852

SCHEMBL13375852

Cc1nnc(C2CCCN2C(=O)Nc2ccc(Cl)cc2C#N)n1Cc1ccc(Cl)cc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 14/20 0.64
▸ UBE2M P61081 1/20 0.40
▸ DCUN1D1 Q96GG9 1/20 0.40
▸ USP30 Q70CQ3 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37

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
SCHEMBL13375418 1.00 CCR1 (0.64) CCR1UBE2MDCUN1D1USP30KDM4E
SCHEMBL13375528 0.90 CCR1 (0.62) CCR1
SCHEMBL13375410 0.89 CCR1 (0.69) CCR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL13375421 0.89 CCR1 (0.69) CCR1UBE2MDCUN1D1KDM4EALDH1A1
SCHEMBL3847639 0.87 CCR1 (0.70) CCR1USP30SMN1; SMN2NPC1
SCHEMBL3847644 0.87 CCR1 (0.70) CCR1USP30SMN1; SMN2NPC1
SCHEMBL13375455 0.87 CCR1 (0.63) CCR1USP30
SCHEMBL13375492 0.87 CCR1 (0.70) CCR1KDM4ESMN1; SMN2NPC1LMNA
SCHEMBL13375527 0.86 CCR1 (0.67) CCR1USP30
SCHEMBL13375429 0.86 CCR1 (0.66) CCR1ALDH1A1MAPTSMN1; SMN2LMNA

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 1/4885UBE2M 4777/4885DCUN1D1 1031/4885

“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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