SCHEMBL853975

SCHEMBL853975

CC1[C@H](C)C[C@@H](c2ncc(-c3ccc(-c4ccc(-c5cnc([C@@H]6CCN(C)N6C(=O)OC(C)(C)C)[nH]5)cc4)cc3)[nH]2)N1C(=O)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 3/20 0.43
PRCP P42785 11/20 0.42
SSTR3 P32745 1/20 0.40
HTR2C P28335 1/20 0.36
PRMT5 O14744 1/20 0.36

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
SCHEMBL13145752 1.00 HPGDS (0.43) HPGDSPRCPSSTR3HTR2CPRMT5
SCHEMBL825050 0.90 HPGDS (0.42) HPGDSPRCPSSTR3PRMT5
SCHEMBL825074 0.83 HPGDS (0.50) HPGDSPRCPSSTR3
SCHEMBL15850406 0.82 HTR2C (0.43) HPGDSPRCPHTR2C
SCHEMBL13145451 0.82 HTR2C (0.43) HPGDSPRCPHTR2C
SCHEMBL13748269 0.80 HPGDS (0.46) HPGDSPRCPSSTR3
SCHEMBL12160170 0.80 HPGDS (0.46) HPGDSPRCPSSTR3
SCHEMBL17571225 0.80 HPGDS (0.46) HPGDSPRCPSSTR3
SCHEMBL12632712 0.80 HPGDS (0.46) HPGDSPRCPSSTR3
SCHEMBL15368389 0.80 HPGDS (0.46) HPGDSPRCPSSTR3

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 HPGDS 582/4885PRCP 190/4885SSTR3 4672/4885

“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.