SCHEMBL825064

SCHEMBL825064

O=C(OCc1ccccc1)N1[C@@H]2CC2C[C@H]1c1ncc(-c2ccc(Br)cc2)[nH]1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.40
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
KCNK3 O14649 1/20 0.39
KCNK9 Q9NPC2 1/20 0.39
PRCP P42785 9/20 0.39
OPRM1 P35372 1/20 0.38
OPRD1 P41143 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
SCHEMBL855900 1.00 HTR2C (0.40) HTR2CMAPK13MAPK12MAPK11MAPK14
SCHEMBL13145451 0.86 HTR2C (0.43) HTR2CMAPK13MAPK12MAPK11MAPK14
SCHEMBL15850406 0.86 HTR2C (0.43) HTR2CMAPK13MAPK12MAPK11MAPK14
SCHEMBL825048 0.84 DGAT1 (0.42) HTR2CPRCPOPRM1OPRD1
SCHEMBL10132316 0.84 DGAT1 (0.42) HTR2CPRCPOPRM1OPRD1
SCHEMBL14930022 0.84 DGAT1 (0.42) HTR2CPRCPOPRM1OPRD1
SCHEMBL1293864 0.83 MAPK13 (0.41) MAPK13MAPK12MAPK11MAPK14PRCP
SCHEMBL12175178 0.81 PRCP (0.43) MAPK13MAPK12MAPK11MAPK14KCNK3
SCHEMBL825050 0.81 HPGDS (0.42) PRCP
SCHEMBL855831 0.81 HPGDS (0.43) MAPK13MAPK12MAPK11MAPK14KCNK3

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-8143301-B2 Hepatitis C virus inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2012-03-27 US disclosed
US-20100260708-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-10-14 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-20100260708-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS HTR2C 3824/4885MAPK13 3291/4885MAPK12 3437/4885

“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.