SCHEMBL625718

SCHEMBL625718

CC(C)(C)OC(=O)N1CCCC1C(=O)NCc1ccc(-c2ccc(-c3cnc(C4CCCN4C(=O)OC(C)(C)C)[nH]3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRCP P42785 11/20 0.53
CYP3A4 P08684 3/20 0.51
CYP2C9 P11712 3/20 0.51
CYP1A2 P05177 2/20 0.51
KCNH2 Q12809 2/20 0.50
NR1I2 O75469 1/20 0.50
ABCB11 O95342 1/20 0.50
OPRK1 P41145 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP2D6 P10635 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
NPC1 O15118 1/20 0.44

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
SCHEMBL625719 1.00 PRCP (0.53) PRCPCYP3A4CYP2C9CYP1A2KCNH2
SCHEMBL625717 1.00 PRCP (0.53) PRCPCYP3A4CYP2C9CYP1A2KCNH2
SCHEMBL204012 0.94 PRCP (0.49) PRCPCYP3A4CYP2C9CYP1A2KCNH2
SCHEMBL19339746 0.90 ALDH1A1 (0.47) PRCPCYP3A4CYP2C9CYP1A2KCNH2
SCHEMBL10092578 0.89 PRCP (0.50) PRCPCYP3A4CYP2C9CYP1A2KCNH2
SCHEMBL10092363 0.89 PRCP (0.50) PRCPCYP3A4CYP2C9CYP1A2KCNH2
SCHEMBL11910995 0.86 CYP3A4 (0.60) PRCPCYP3A4CYP2C9CYP1A2KCNH2
SCHEMBL753302 0.86 CYP3A4 (0.60) PRCPCYP3A4CYP2C9CYP1A2KCNH2
SCHEMBL2706110 0.85 CYP3A4 (0.58) PRCPCYP3A4CYP2C9CYP1A2KCNH2
SCHEMBL25638633 0.85 PRCP (0.57) PRCPCYP3A4CYP2C9CYP1A2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040977-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2012-02-16 US disclosed
EP-2398474-A1 INHIBITORS OF HCV NS5A Presidio Pharmaceuticals, Inc. (US) 2011-12-28 EP disclosed
WO-2010096777-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2010-08-26 WO 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-20120040977-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 PRCP 298/4885CYP3A4 2538/4885CYP2C9 3984/4885

“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.