SCHEMBL1132086

SCHEMBL1132086

O=Cc1nn(C2CCCCC2)c(-c2ccc(OCc3ccccc3)cc2)c1Br

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.41
BTK Q06187 3/20 0.40
CYP2D6 P10635 2/20 0.40
FDFT1 P37268 1/20 0.39
CMKLR1 Q99788 3/20 0.39
ALOX5 P09917 1/20 0.38
GSTP1 P09211 1/20 0.38
IGF1R P08069 1/20 0.38
WDR5 P61964 1/20 0.37

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
SCHEMBL12860259 0.88 HRH3 (0.41) HRH3BTKCYP2D6FDFT1CMKLR1
SCHEMBL1132052 0.88 PTGS1 (0.41) HRH3BTKCMKLR1
SCHEMBL1131332 0.88 PTGS1 (0.41) HRH3BTKCMKLR1
SCHEMBL1131853 0.87 BTK (0.42) HRH3BTKCMKLR1
SCHEMBL1131591 0.84 CMKLR1 (0.39) BTKCMKLR1ALOX5
SCHEMBL1131587 0.84 CMKLR1 (0.39) BTKCMKLR1ALOX5
SCHEMBL1131696 0.84 KDM4E (0.43) HRH3BTKCMKLR1
SCHEMBL1132366 0.82 HRH3 (0.42) HRH3BTKCYP2D6FDFT1CMKLR1
SCHEMBL1131589 0.80 CNR1 (0.40) HRH3BTKCMKLR1
SCHEMBL1131987 0.79 DGAT1 (0.44) CMKLR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663105-B1 CYCLOALKYL HETEROCYCLES FOR TREATING HEPATITIS C VIRUS BRISTOL MYERS SQUIBB CO (US) 2011-02-16 EP disclosed
EP-1663105-A4 CYCLOALKYL HETEROCYCLES FOR TREATING HEPATITIS C VIRUS BRISTOL MYERS SQUIBB CO (US) 2009-04-15 EP disclosed
US-7112601-B2 Cycloalkyl heterocycles for treating hepatitis C virus BRISTOL-MYERS SQUIBB COMPANY (US) 2006-09-26 US disclosed
EP-1663105-A2 CYCLOALKYL HETEROCYCLES FOR TREATING HEPATITIS C VIRUS Bristol-Myers Squibb Company (US) 2006-06-07 EP disclosed
WO-2005034850-A2 CYCLOALKYL HETEROCYCLES FOR TREATING HEPATITIS C VIRUS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-21 WO disclosed
US-20050075376-A1 Cycloalkyl heterocycles for treating Hepatitis C virus BRISTOL-MYERS SQUIBB COMPANY 2005-04-07 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-20050075376-A1 Cycloalkyl heterocycles for treating Hepatitis C virus HCCS, NSUN2, HAVCR2 HRH3 1341/4885BTK 4659/4885CYP2D6 413/4885

“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.