SCHEMBL19323955

SCHEMBL19323955

CCCC(=O)N1CCCC[C@H]1c1ncc(-c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)[nH]1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRCP P42785 11/20 0.52
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
KCNH2 Q12809 2/20 0.43
NR1I2 O75469 1/20 0.43
ABCB11 O95342 1/20 0.43
OPRK1 P41145 1/20 0.43
OPRM1 P35372 2/20 0.43
OPRD1 P41143 2/20 0.43
CYP1A2 P05177 1/20 0.41

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
SCHEMBL19323472 0.97 PRCP (0.55) PRCPCYP3A4CYP2C9KCNH2NR1I2
SCHEMBL15368458 0.86 CYP3A4 (0.52) PRCPCYP3A4CYP2C9KCNH2NR1I2
SCHEMBL16737242 0.86 CYP3A4 (0.52) PRCPCYP3A4CYP2C9KCNH2NR1I2
SCHEMBL9980252 0.86 PRCP (0.50) PRCPCYP3A4CYP2C9KCNH2NR1I2
SCHEMBL749667 0.85 PRCP (0.50) PRCPCYP3A4CYP2C9KCNH2NR1I2
SCHEMBL16499294 0.85 PRCP (0.50) PRCPCYP3A4CYP2C9KCNH2NR1I2
SCHEMBL19324250 0.85 PRCP (0.49) PRCPCYP3A4CYP2C9KCNH2NR1I2
SCHEMBL15405447 0.84 PRCP (0.51) PRCPCYP3A4CYP2C9KCNH2NR1I2
SCHEMBL18870546 0.84 USP30 (0.46) PRCPCYP3A4CYP2C9KCNH2NR1I2
SCHEMBL19324237 0.84 PRCP (0.41) PRCPCYP3A4CYP2C9KCNH2NR1I2

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-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS CHANGZHOU YINSHENG PHARMACEUTICAL CO., LTD. (CN) 2017-09-07 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-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS HAVCR2, HCCS, LIPC PRCP 107/4885CYP3A4 177/4885CYP2C9 519/4885

“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.