SCHEMBL825050

SCHEMBL825050

CN1CC[C@@H](c2ncc(-c3ccc(-c4ccc(-c5cnc([C@@H]6CC7C[C@H]7N6C(=O)OCc6ccccc6)[nH]5)cc4)cc3)[nH]2)N1C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 3/20 0.42
PRCP P42785 11/20 0.42
SSTR3 P32745 1/20 0.41
PRMT5 O14744 1/20 0.36
GPR119 Q8TDV5 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
SCHEMBL853975 0.90 HPGDS (0.43) HPGDSPRCPSSTR3PRMT5
SCHEMBL13145752 0.90 HPGDS (0.43) HPGDSPRCPSSTR3PRMT5
SCHEMBL825074 0.82 HPGDS (0.50) HPGDSPRCPSSTR3GPR119
SCHEMBL19701047 0.81 PRCP (0.37) HPGDSPRCPSSTR3PRMT5GPR119
SCHEMBL20484405 0.81 PRCP (0.37) HPGDSPRCPSSTR3PRMT5GPR119
SCHEMBL855900 0.81 HTR2C (0.40) PRCP
SCHEMBL825064 0.81 HTR2C (0.40) PRCP
SCHEMBL17563565 0.81 HPGDS (0.46) HPGDSPRCPSSTR3
SCHEMBL12159995 0.81 HPGDS (0.46) HPGDSPRCPSSTR3
SCHEMBL13635812 0.81 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.