SCHEMBL5096404

SCHEMBL5096404

CCN(CC)[C@H](C(=O)N1CCC(c2ncc(-c3ccc(-c4ncc(-c5cnc([C@@H]6CCCN6C(=O)OC(C)(C)C)[nH]5)cn4)cc3)[nH]2)C1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 7/20 0.63
KCNH2 Q12809 2/20 0.58
PRCP P42785 6/20 0.43
NR1I2 O75469 1/20 0.41
ABCB11 O95342 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
OPRK1 P41145 1/20 0.41
OPRM1 P35372 2/20 0.40
OPRD1 P41143 2/20 0.40

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
SCHEMBL719793 0.92 KCNH2 (0.68) HPGDSKCNH2PRCPNR1I2ABCB11
SCHEMBL14273503 0.87 KCNH2 (0.74) HPGDSKCNH2PRCPNR1I2ABCB11
SCHEMBL16269990 0.85 KCNH2 (0.61) HPGDSKCNH2PRCPNR1I2ABCB11
SCHEMBL12159679 0.85 KCNH2 (0.61) HPGDSKCNH2PRCPNR1I2ABCB11
SCHEMBL695432 0.84 KCNH2 (0.67) HPGDSKCNH2PRCPNR1I2ABCB11
SCHEMBL690397 0.84 KCNH2 (0.71) HPGDSKCNH2PRCPNR1I2ABCB11
SCHEMBL19548079 0.84 KCNH2 (0.71) HPGDSKCNH2PRCPNR1I2ABCB11
SCHEMBL692686 0.83 KCNH2 (0.74) HPGDSKCNH2PRCPNR1I2ABCB11
SCHEMBL16105833 0.82 KCNH2 (0.67) HPGDSKCNH2PRCPNR1I2ABCB11
SCHEMBL692685 0.82 KCNH2 (0.70) HPGDSKCNH2PRCPNR1I2ABCB11

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080044379-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 US claimed

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-20080044379-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS HPGDS 582/4885KCNH2 4523/4885PRCP 190/4885

“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.