SCHEMBL13376005

SCHEMBL13376005

Cc1nnc(C2CCCN2C(=O)Nc2ccc(Br)cc2F)n1Cc1ccc(Cl)cc1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 9/20 0.66
▸ LMNA P02545 1/20 0.42
▸ THRB P10828 1/20 0.41
▸ USP30 Q70CQ3 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL13375419 1.00 CCR1 (0.66) CCR1LMNATHRBUSP30NPC1
SCHEMBL13375534 0.95 CCR1 (0.63) CCR1LMNAUSP30NPC1TP53
SCHEMBL3847644 0.93 CCR1 (0.70) CCR1USP30NPC1TP53SMN1; SMN2
SCHEMBL3847639 0.93 CCR1 (0.70) CCR1USP30NPC1TP53SMN1; SMN2
SCHEMBL13375422 0.92 CCR1 (0.68) CCR1LMNAUSP30TP53ALDH1A1
SCHEMBL13375952 0.92 CCR1 (0.68) CCR1LMNAUSP30TP53ALDH1A1
SCHEMBL13375369 0.90 CCR1 (0.65) CCR1LMNAUSP30NPC1TP53
SCHEMBL13375135 0.90 CCR1 (0.70) CCR1TP53SMN1; SMN2L3MBTL1
SCHEMBL13375950 0.89 CCR1 (0.71) CCR1USP30TP53SMN1; SMN2
SCHEMBL13375423 0.89 CCR1 (0.71) 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 1/4885LMNA 4498/4885THRB 1136/4885

“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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