SCHEMBL13360883

SCHEMBL13360883

CCOc1cc(N2CCN(C(=O)Cn3nc(-c4ncc[nH]4)c4cccnc43)CC2)c(F)cc1I

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.61
CXCR3 P49682 6/20 0.36
HTT P42858 2/20 0.35
LMNA P02545 3/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TP53 P04637 1/20 0.35
PDE5A O76074 2/20 0.34
NPC1 O15118 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL12626194 0.92 CCR1 (0.58) CCR1CXCR3HTTLMNAALDH1A1
SCHEMBL1638723 0.91 CCR1 (0.67) CCR1CXCR3HTTLMNAALDH1A1
SCHEMBL12624493 0.87 CCR1 (0.74) CCR1ALDH1A1MAPT
SCHEMBL1637827 0.86 CCR1 (0.77) CCR1TP53
SCHEMBL10063572 0.83 CCR1 (0.66) CCR1CXCR3HTTLMNAALDH1A1
SCHEMBL1637373 0.83 CCR1 (0.64) CCR1CXCR3LMNAALDH1A1MAPT
SCHEMBL13355955 0.82 CCR1 (0.65) CCR1CXCR3LMNAALDH1A1MAPT
SCHEMBL13456282 0.82 CCR1 (0.56) CCR1CXCR3
SCHEMBL1638044 0.81 CCR1 (0.87) CCR1
SCHEMBL10080244 0.80 CCR1 (0.83) CCR1

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 314/4885HTT 4750/4885

“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.