SCHEMBL10169491

SCHEMBL10169491

CC(C)c1ccc(C2(O)CCN(C(=O)OC(C)(C)C)CC2(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 19/20 0.50
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NR1I2 O75469 1/20 0.46

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
SCHEMBL652941 0.88 CCR1 (0.62) CCR1NR1I2
SCHEMBL10210775 0.87 CCR1 (0.50) CCR1NR1I2
SCHEMBL2160191 0.86 RORC (0.52) CCR1NR1I2
SCHEMBL31088540 0.85 TSHR (0.49) CCR1
SCHEMBL31088542 0.85 TSHR (0.49) CCR1
SCHEMBL2159707 0.79 CCR1 (0.47) CCR1NR1I2
SCHEMBL21826368 0.79 HTT (0.52) NPC1ALDH1A1MAPTMAPK1HTT
SCHEMBL3018507 0.79 CCR1 (0.52) CCR1NR1I2
SCHEMBL3018510 0.79 CCR1 (0.52) CCR1NR1I2
SCHEMBL31537351 0.77 CCR1 (0.44) CCR1NR1I2

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-8586751-B2 Nicotinamide compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2013-11-19 US disclosed
US-20120082702-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MEYERS SQUIBB COMPANY 2012-04-05 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-20120082702-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS NADK, BTK, NAMPT CCR1 2206/4885NPC1 1778/4885ALDH1A1 2193/4885

“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.