SCHEMBL13375214

SCHEMBL13375214

Cc1cc(C(=O)O)ccc1NC(=O)N1CCC[C@@H]1c1nnc(C)n1Cc1ccc(Cl)cc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 11/20 0.64
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ CCNC P24863 1/20 0.40
▸ CDK8 P49336 1/20 0.40
▸ CYP2C9 P11712 2/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ NR1H4 Q96RI1 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ PTGDR2 Q9Y5Y4 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
SCHEMBL13375215 0.93 CCR1 (0.64) CCR1MEN1KMT2ACCNCCDK8
SCHEMBL13375297 0.92 CCR1 (0.63) CCR1MEN1KMT2ACCNCCDK8
SCHEMBL13375410 0.92 CCR1 (0.69) CCR1MEN1KMT2ACYP2C9CYP2D6
SCHEMBL13375208 0.92 CCR1 (0.62) CCR1MEN1KMT2ACCNCCDK8
SCHEMBL13375166 0.92 CCR1 (0.62) CCR1MEN1KMT2ACCNCCDK8
SCHEMBL13375295 0.92 CCR1 (0.64) CCR1MEN1KMT2ACCNCCDK8
SCHEMBL13375209 0.91 CCR1 (0.62) CCR1MEN1KMT2ACCNCCDK8
SCHEMBL13375274 0.91 CCR1 (0.66) CCR1CCNCCDK8SMN1; SMN2
SCHEMBL13375349 0.90 CCR1 (0.64) CCR1CCNCCDK8SMN1; SMN2
SCHEMBL13375338 0.88 CCR1 (0.69) CCR1MEN1KMT2ACCNCCDK8

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 4 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-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

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 1/4885MEN1 3444/4885KMT2A 3871/4885

“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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