SCHEMBL13376006

SCHEMBL13376006

O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCCC1c1ncnn1Cc1ccc(Cl)cc1

nearest known ligand 0.79

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 9/20 0.79
▸ MAPT P10636 3/20 0.49
▸ LMNA P02545 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ CCR2 P41597 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ TSHR P16473 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ FAAH O00519 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ XBP1 P17861 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ RECQL P46063 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
SCHEMBL13375445 1.00 CCR1 (0.79) CCR1MAPTLMNATP53CCR2
SCHEMBL13374964 0.88 CCR1 (1.00) CCR1SMN1; SMN2
SCHEMBL13374943 0.85 CCR1 (0.79) CCR1MAPTLMNATP53CCR2
SCHEMBL13374971 0.84 CCR1 (0.80) CCR1SMN1; SMN2
SCHEMBL13375920 0.83 CCR1 (0.79) CCR1SMN1; SMN2
SCHEMBL13374969 0.83 CCR1 (0.79) CCR1LMNANPSR1
SCHEMBL13375442 0.83 CCR1 (0.80) CCR1MAPTLMNATP53CCR2
SCHEMBL13375973 0.83 CCR1 (0.80) CCR1MAPTLMNATP53CCR2
SCHEMBL13374968 0.82 CCR1 (0.69) CCR1SMN1; SMN2NPSR1
SCHEMBL13374957 0.82 CCR1 (0.77) 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 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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