SCHEMBL825066

SCHEMBL825066

CN1CC[C@@H](c2ncc(-c3ccc(-c4ccc(-c5cnc([C@@H]6CC7C[C@H]7N6)[nH]5)cc4)cc3)[nH]2)N1C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SSTR3 P32745 5/20 0.46
HPGDS O60760 3/20 0.43
KCNH2 Q12809 6/20 0.40
CYP3A4 P08684 3/20 0.40
CYP2C9 P11712 3/20 0.40
NR1I2 O75469 1/20 0.40
ABCB11 O95342 1/20 0.40
OPRK1 P41145 1/20 0.40
PRCP P42785 7/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 1/20 0.38
GPR119 Q8TDV5 1/20 0.34

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
SCHEMBL825074 0.90 HPGDS (0.50) SSTR3HPGDSKCNH2CYP3A4CYP2C9
SCHEMBL13145134 0.90 SSTR3 (0.45) SSTR3HPGDSKCNH2CYP3A4CYP2C9
SCHEMBL10132326 0.90 SSTR3 (0.45) SSTR3HPGDSKCNH2CYP3A4CYP2C9
SCHEMBL825078 0.84 HPGDS (0.47) SSTR3HPGDSKCNH2CYP3A4CYP2C9
SCHEMBL825176 0.83 HPGDS (0.46) SSTR3HPGDSKCNH2CYP3A4CYP2C9
SCHEMBL12147941 0.82 SSTR3 (0.42) SSTR3HPGDSKCNH2CYP3A4CYP2C9
SCHEMBL1316015 0.79 HPGDS (0.41) SSTR3HPGDSKCNH2CYP3A4CYP2C9
SCHEMBL1316017 0.79 HPGDS (0.41) SSTR3HPGDSKCNH2CYP3A4CYP2C9
SCHEMBL1316016 0.79 HPGDS (0.41) SSTR3HPGDSKCNH2CYP3A4CYP2C9
SCHEMBL1293625 0.77 SSTR3 (0.39) SSTR3HPGDSKCNH2CYP3A4CYP2C9

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 SSTR3 4672/4885HPGDS 582/4885KCNH2 4523/4885

“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.