SCHEMBL3849054

SCHEMBL3849054

Cc1nnc([C@H]2CCCN2C(=O)Nc2ccc(C(F)(F)F)cc2)n1Cc1ccc(Cl)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 17/20 1.00
▸ SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL3849058 1.00 CCR1 (1.00) CCR1SMN1; SMN2
SCHEMBL18781954 0.94 CCR1 (0.88) CCR1
SCHEMBL3843695 0.94 CCR1 (0.88) CCR1SMN1; SMN2
SCHEMBL3843689 0.94 CCR1 (0.88) CCR1SMN1; SMN2
SCHEMBL13375038 0.93 CCR1 (0.87) CCR1SMN1; SMN2
SCHEMBL18776054 0.91 CCR1 (0.83) CCR1SMN1; SMN2
SCHEMBL13375127 0.90 CCR1 (0.81) CCR1
SCHEMBL13375269 0.90 CCR1 (0.81) CCR1
SCHEMBL13375047 0.90 CCR1 (0.81) CCR1SMN1; SMN2
SCHEMBL13375004 0.90 CCR1 (0.81) CCR1SMN1; 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017070431-A1 USE OF CCR1 ANTAGONISTS AS A TREATMENT FOR TUMORS OF THE CENTRAL NERVOUS SYSTEM MERRITT JAMES (US) 2017-04-27 — — WO disclosed
US-20170112831-A1 USE OF CCR1 ANTAGONISTS AS A TREATMENT FOR TUMORS OF THE CENTRAL NERVOUS SYSTEM MERRITT JAMES (US) 2017-04-27 — — US disclosed
US-8288371-B2 Ortho pyrrolidine, benzyl-substituted heterocycle CCR1 antagonists for autoimmune diseases and inflammation PHARMACOPEIA, LLC (US) 2012-10-16 — — US disclosed
US-8288371-B2 Ortho pyrrolidine, benzyl-substituted heterocycle CCR1 antagonists for autoimmune diseases and inflammation PHARMACOPEIA, LLC (US) 2012-10-16 — — US disclosed
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
US-20090093472-A1 ORTHO PYRROLIDINE, BENZYL-SUBSTITUTED HETEROCYCLE CCR1 ANTAGONISTS FOR AUTOIMMUNE DISEASES & INFLAMMATION PHARMACOPEIA, INC. (US) 2009-04-09 — — 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 (2 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 2159/4885
US-20170112831-A1 USE OF CCR1 ANTAGONISTS AS A TREATMENT FOR TUMORS OF THE CENTRAL NERVOUS SYSTEM CCR1, CCR3, CCR4 CCR1 1/4885SMN1; SMN2 1358/4885

“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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