SCHEMBL3843490

SCHEMBL3843490

O=C(Nc1ccc(C(F)(F)F)cc1)N1CCCC1c1[nH]ncc1Cc1ccc(Cl)cc1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 13/20 0.63
SMN1; SMN2 Q16637 1/20 0.44
TRPV1 Q8NER1 1/20 0.43
RHOC P08134 1/20 0.42
RHOA P61586 1/20 0.42

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
SCHEMBL3843488 1.00 CCR1 (0.63) CCR1SMN1; SMN2TRPV1RHOCRHOA
SCHEMBL13374896 0.83 CCR1 (0.63) CCR1SMN1; SMN2TRPV1
SCHEMBL3844435 0.83 CCR1 (0.61) CCR1SMN1; SMN2TRPV1RHOCRHOA
SCHEMBL3844430 0.83 CCR1 (0.61) CCR1SMN1; SMN2TRPV1RHOCRHOA
SCHEMBL13374918 0.82 CCR1 (0.64) CCR1SMN1; SMN2TRPV1RHOCRHOA
SCHEMBL3843731 0.80 CCR1 (0.62) CCR1SMN1; SMN2
SCHEMBL3843726 0.80 CCR1 (0.62) CCR1SMN1; SMN2
SCHEMBL3847645 0.77 TSHR (0.46)
SCHEMBL3847643 0.77 TSHR (0.46)
SCHEMBL13374964 0.77 CCR1 (1.00) CCR1SMN1; SMN2TRPV1RHOCRHOA

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 5 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
WO-2009082526-A2 ORTHO PYRROLIDINE, BENZYL-SUBSTITUTED HETEROCYCLE CCR1 ANTAGONISTS FOR AUTOIMMUNE DISEASES & INFLAMMATION PHARMACOPEIA, INC. (US) 2009-07-02 WO 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 2159/4885TRPV1 72/4885

“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.