SCHEMBL888865

SCHEMBL888865

COC(=O)N[C@H](C(=O)N1CC[C@H](OC(=O)NC(C)C)C1)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 11/20 0.38
ABL1 P00519 1/20 0.38
BCR P11274 1/20 0.38
CYP3A4 P08684 4/20 0.38
CYP2C9 P11712 2/20 0.38
KCNH2 Q12809 2/20 0.38
CYP2C19 P33261 1/20 0.38
NR1I2 O75469 1/20 0.38
ABCB11 O95342 1/20 0.38
OPRK1 P41145 1/20 0.38
KMT2A Q03164 1/20 0.35
LMNA P02545 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
SCHEMBL12824396 0.90 CCR1 (0.38) CCR1ABL1BCRCYP3A4CYP2C9
SCHEMBL12824315 0.90 CCR1 (0.38) CCR1ABL1BCRCYP3A4CYP2C9
SCHEMBL15457791 0.87 CCR1 (0.41) CCR1ABL1BCRCYP3A4CYP2C9
SCHEMBL15457795 0.87 CCR1 (0.41) CCR1ABL1BCRCYP3A4CYP2C9
SCHEMBL10299181 0.87 CCR1 (0.41) CCR1ABL1BCRCYP3A4CYP2C9
SCHEMBL17303219 0.87 CCR1 (0.41) CCR1ABL1BCRCYP3A4CYP2C9
SCHEMBL12842148 0.85 HPGD (0.35) CCR1CYP3A4KCNH2CYP2C19KMT2A
SCHEMBL15458238 0.82 DPP4 (0.47) CCR1ABL1BCRCYP3A4CYP2C9
SCHEMBL3266695 0.82 DPP4 (0.47) CCR1ABL1BCRCYP3A4CYP2C9
SCHEMBL17303216 0.82 DPP4 (0.47) CCR1ABL1BCRCYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822700-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-09-02 US disclosed
US-8815928-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-08-26 US disclosed
US-8759332-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-06-24 US disclosed
US-8703938-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-04-22 US disclosed
US-20110070197-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-24 US disclosed
US-20110064695-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 US disclosed
US-20110064696-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 US disclosed
US-20110064697-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 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 (4 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-20110064697-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 CCR1 165/4885ABL1 312/4885BCR 3851/4885
US-20110064695-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 CCR1 165/4885ABL1 312/4885BCR 3851/4885
US-20110064696-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 CCR1 165/4885ABL1 312/4885BCR 3851/4885
US-20110070197-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 CCR1 165/4885ABL1 312/4885BCR 3851/4885

“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.