SCHEMBL13375949

SCHEMBL13375949

Cc1nnc(C2CCCN2C(=O)Nc2ccc(C(F)(F)F)nc2Cl)n1Cc1ccc(Cl)cc1

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 15/20 0.72
▸ TP53 P04637 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.36
▸ TRPV1 Q8NER1 1/20 0.36
▸ P2RX3 P56373 1/20 0.35

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
SCHEMBL13375524 1.00 CCR1 (0.72) CCR1TP53TDP1TRPV1P2RX3
SCHEMBL13375405 0.93 CCR1 (0.72) CCR1TP53TDP1TRPV1
SCHEMBL13375395 0.90 CCR1 (0.68) CCR1TP53
SCHEMBL13375397 0.89 CCR1 (0.67) CCR1TP53TRPV1
SCHEMBL13375531 0.87 CCR1 (0.62) CCR1TP53TDP1TRPV1
SCHEMBL13375549 0.87 CCR1 (0.62) CCR1TP53TDP1TRPV1
SCHEMBL13375406 0.87 CCR1 (0.74) CCR1TP53TDP1
SCHEMBL13375962 0.86 CCR1 (0.53) CCR1P2RX3
SCHEMBL13375963 0.86 CCR1 (0.53) CCR1P2RX3
SCHEMBL13375496 0.86 CCR1 (0.53) CCR1P2RX3

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 1/4885TP53 3987/4885TDP1 1648/4885

“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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