SCHEMBL13360888

SCHEMBL13360888

C[C@H]1CN(c2ccc(I)c(OCCF)c2)CCN1C(=O)Cn1nc(-c2ncc[nH]2)c2cccnc21

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.57
CXCR3 P49682 17/20 0.38
KCNH2 Q12809 6/20 0.36

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
SCHEMBL12624494 0.92 CCR1 (0.59) CCR1CXCR3KCNH2
SCHEMBL1690944 0.92 CCR1 (0.66) CCR1CXCR3
SCHEMBL1639478 0.92 CCR1 (0.66) CCR1CXCR3
SCHEMBL12624498 0.92 CCR1 (0.65) CCR1CXCR3KCNH2
SCHEMBL1639057 0.85 CCR1 (0.79) CCR1CXCR3
SCHEMBL1637786 0.85 CCR1 (0.79) CCR1CXCR3
SCHEMBL1637790 0.85 CCR1 (0.79) CCR1CXCR3
SCHEMBL1639747 0.84 CCR1 (0.69) CCR1CXCR3KCNH2
SCHEMBL1639652 0.84 CCR1 (0.69) CCR1CXCR3KCNH2
SCHEMBL22911381 0.82 CCR1 (0.64) CCR1CXCR3KCNH2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113472-A1 COMPOUNDS FOR THE TREATMENT OF OSTEOPOROSIS AND CANCERS CHEMOCENTRYX, INC. (US) 2010-05-06 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-20100113472-A1 COMPOUNDS FOR THE TREATMENT OF OSTEOPOROSIS AND CANCERS SOST, VDR, PTH1R CCR1 1499/4885CXCR3 314/4885KCNH2 2862/4885

“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.