SCHEMBL13375973

SCHEMBL13375973

Cc1nnc(C2CCCN2C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)n1Cc1ccc(Cl)cc1

nearest known ligand 0.80

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 13/20 0.80
▸ MAPT P10636 2/20 0.48
▸ LMNA P02545 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ CCR2 P41597 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ EPHX2 P34913 1/20 0.42
▸ KMT2A Q03164 1/20 0.41

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
SCHEMBL13375442 1.00 CCR1 (0.80) CCR1MAPTLMNATP53CCR2
SCHEMBL13375569 0.94 CCR1 (0.70) CCR1MAPTLMNATP53CCR2
SCHEMBL13375525 0.90 CCR1 (0.74) CCR1
SCHEMBL13375425 0.90 CCR1 (0.76) CCR1MAPTLMNATP53SMN1; SMN2
SCHEMBL13375409 0.89 CCR1 (0.75) CCR1SMN1; SMN2
SCHEMBL3849054 0.89 CCR1 (1.00) CCR1SMN1; SMN2
SCHEMBL3849058 0.89 CCR1 (1.00) CCR1SMN1; SMN2
SCHEMBL3843689 0.88 CCR1 (0.88) CCR1SMN1; SMN2
SCHEMBL3843695 0.88 CCR1 (0.88) CCR1SMN1; SMN2
SCHEMBL13375406 0.87 CCR1 (0.74) CCR1MAPTTP53SMN1; SMN2KMT2A

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 1/4885MAPT 4035/4885LMNA 4498/4885

“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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