SCHEMBL12422931

SCHEMBL12422931

CC(=O)N[C@@H](C(=O)N1CCC[C@@H]1c1nc2cc(C#Cc3ccc4[nH]c([C@H]5CCCN5C(=O)[C@H](NC(C)=O)C(C)C)nc4c3)ccc2[nH]1)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PRCP P42785 2/20 0.49
CYP3A4 P08684 3/20 0.49
CYP2C9 P11712 2/20 0.49
NR1I2 O75469 1/20 0.47
ABCB11 O95342 1/20 0.47
OPRK1 P41145 1/20 0.47
KCNH2 Q12809 1/20 0.47

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
SCHEMBL12422921 1.00 PRCP (0.49) PRCPCYP3A4CYP2C9NR1I2ABCB11
SCHEMBL12422920 1.00 PRCP (0.49) PRCPCYP3A4CYP2C9NR1I2ABCB11
SCHEMBL15045706 1.00 PRCP (0.49) PRCPCYP3A4CYP2C9NR1I2ABCB11
SCHEMBL15047947 0.91 CYP3A4 (0.61) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL15047946 0.91 CYP3A4 (0.61) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL15048026 0.91 CYP3A4 (0.61) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL19388670 0.91 CYP3A4 (0.61) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL2195241 0.91 CYP3A4 (0.61) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL12509662 0.90 CYP3A4 (0.56) PRCPCYP3A4CYP2C9NR1I2ABCB11
SCHEMBL12509590 0.90 CYP3A4 (0.56) PRCPCYP3A4CYP2C9NR1I2ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140243257-A1 BENZIMIDAZOLE ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-28 US disclosed
US-20140243257-A1 BENZIMIDAZOLE ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-28 US disclosed
US-8354419-B2 Benzimidazole analogues for the treatment or prevention of flavivirus infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-15 US disclosed
US-20110172238-A1 BENZIMIDAZOLE ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED 2011-07-14 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 (2 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-20140243257-A1 BENZIMIDAZOLE ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS BRI3BP, BLVRB, BRIX1 PRCP 2425/4885CYP3A4 325/4885CYP2C9 691/4885
US-20110172238-A1 BENZIMIDAZOLE ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS BRI3BP, BLVRB, BRIX1 PRCP 2425/4885CYP3A4 325/4885CYP2C9 691/4885

“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.