SCHEMBL13375429

SCHEMBL13375429

COc1cc(Cl)ccc1NC(=O)N1CCC[C@@H]1c1nnc(C)n1Cc1ccc(Cl)cc1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 8/20 0.66
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ KMT2A Q03164 2/20 0.47
▸ MAPT P10636 5/20 0.42
▸ CRHBP P24387 1/20 0.42
▸ CRHR2 Q13324 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ GLA P06280 1/20 0.40
▸ GAA P10253 1/20 0.40

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
SCHEMBL13375421 0.90 CCR1 (0.69) CCR1SMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL13375410 0.90 CCR1 (0.69) CCR1SMN1; SMN2KMT2AMAPTALDH1A1
SCHEMBL3847644 0.89 CCR1 (0.70) CCR1SMN1; SMN2KMT2A
SCHEMBL3847639 0.89 CCR1 (0.70) CCR1SMN1; SMN2KMT2A
SCHEMBL13375950 0.88 CCR1 (0.71) CCR1SMN1; SMN2KMT2A
SCHEMBL13375423 0.88 CCR1 (0.71) CCR1SMN1; SMN2KMT2A
SCHEMBL13375434 0.87 CCR1 (0.65) CCR1SMN1; SMN2KMT2A
SCHEMBL13375223 0.86 CCR1 (0.62) CCR1SMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL13375166 0.86 CCR1 (0.62) CCR1SMN1; SMN2KMT2AALDH1A1USP2
SCHEMBL13375418 0.86 CCR1 (0.64) CCR1SMN1; SMN2MAPTALDH1A1LMNA

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 1/4885SMN1; SMN2 2159/4885KMT2A 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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