SCHEMBL4076260

SCHEMBL4076260

CNC1(Cc2ccccc2)CC2CCC(C1)N2C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.41
SLC6A3 Q01959 3/20 0.41
SLC6A2 P23975 2/20 0.41
HRH3 Q9Y5N1 1/20 0.41
OPRL1 P41146 4/20 0.39
CHRM2 P08172 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
OPRM1 P35372 2/20 0.38
LMNA P02545 1/20 0.38
DRD2 P14416 1/20 0.38
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL7808357 0.78 MAOA (0.52) SLC6A4SLC6A3SLC6A2HRH3OPRL1
SCHEMBL6138472 0.74 MAOA (0.48) OPRL1OPRM1SIGMAR1
SCHEMBL4591914 0.73 CHRM2 (0.45) CHRM2CHRM1CHRM3LMNA
Hydrochloric Acid SCHEMBL30175029 0.72 MAOA (0.47) OPRL1OPRM1
SCHEMBL14285983 0.71 ADRB2 (0.48) SLC6A4SLC6A3SLC6A2OPRL1OPRM1
SCHEMBL13075727 0.71 MAOA (0.45) SLC6A4OPRL1OPRM1
SCHEMBL27353392 0.69 ADRB2 (0.50) SLC6A4SLC6A3SLC6A2OPRL1OPRM1
Hydrochloric Acid SCHEMBL28705458 0.66 MEN1 (0.41) SLC6A4SLC6A3SLC6A2OPRL1OPRM1
SCHEMBL7121075 0.65 SLC6A3 (0.53) SLC6A4SLC6A3SLC6A2OPRL1CHRM2
SCHEMBL1022483 0.65 OPRM1 (0.54) OPRM1DRD2SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2118108-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2012-11-14 EP disclosed
CN-101730698-B Compounds for the treatment of hepatitis c BRISTOL MYERS SQUIBB CO 2012-09-05 CN disclosed
CN-101730698-A Compounds for the treatment of hepatitis c BRISTOL MYERS SQUIBB CO 2010-06-09 CN disclosed
EP-2118108-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C Bristol-Myers Squibb Company (US) 2009-11-18 EP disclosed
US-7541353-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-02 US disclosed
US-20080226591-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2008-09-18 US disclosed
WO-2008112848-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2008-09-18 WO 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-20080226591-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 SLC6A4 4222/4885SLC6A3 2857/4885SLC6A2 3312/4885

“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.