SCHEMBL825176

SCHEMBL825176

CN1CC[C@@H](c2ncc(-c3ccc(C#Cc4ccc(-c5cnc([C@@H]6CCN(C)N6C(=O)OC(C)(C)C)[nH]5)cc4)cc3)[nH]2)N1C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 3/20 0.46
SSTR3 P32745 1/20 0.42
CYP3A4 P08684 4/20 0.41
CYP2C9 P11712 3/20 0.41
NR1I2 O75469 1/20 0.41
ABCB11 O95342 1/20 0.41
OPRK1 P41145 1/20 0.41
KCNH2 Q12809 1/20 0.41
PRCP P42785 7/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 1/20 0.39
GPR119 Q8TDV5 1/20 0.37
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35

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 0.93 HPGDS (0.50) HPGDSSSTR3CYP3A4CYP2C9NR1I2
SCHEMBL825078 0.89 HPGDS (0.47) HPGDSSSTR3CYP3A4CYP2C9NR1I2
SCHEMBL825066 0.83 SSTR3 (0.46) HPGDSSSTR3CYP3A4CYP2C9NR1I2
SCHEMBL10132326 0.83 SSTR3 (0.45) HPGDSSSTR3CYP3A4CYP2C9NR1I2
SCHEMBL13145134 0.83 SSTR3 (0.45) HPGDSSSTR3CYP3A4CYP2C9NR1I2
SCHEMBL1316016 0.81 HPGDS (0.41) HPGDSSSTR3CYP3A4CYP2C9NR1I2
SCHEMBL1316015 0.81 HPGDS (0.41) HPGDSSSTR3CYP3A4CYP2C9NR1I2
SCHEMBL1316017 0.81 HPGDS (0.41) HPGDSSSTR3CYP3A4CYP2C9NR1I2
SCHEMBL12067903 0.80 CYP3A4 (0.49) HPGDSCYP3A4CYP2C9NR1I2ABCB11
SCHEMBL10144792 0.80 HPGDS (0.53) HPGDSCYP3A4CYP2C9NR1I2ABCB11

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 582/4885SSTR3 4672/4885CYP3A4 1107/4885

“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.