SCHEMBL6121682

SCHEMBL6121682

CC1CC(C(=O)O)N(C(=O)OCc2ccccc2)C1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
HTR2C P28335 1/20 0.51
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PDK1 Q15118 1/20 0.47
PDK2 Q15119 1/20 0.47
PDK3 Q15120 1/20 0.47
PDK4 Q16654 1/20 0.47
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 0.46
PSENEN Q9NZ42 1/20 0.46
PREP P48147 1/20 0.46
AGTR2 P50052 1/20 0.46

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
SCHEMBL29302474 1.00 POLB (0.53) POLBHTR2CNPC1RAB9ASMN1; SMN2
SCHEMBL26777858 1.00 POLB (0.53) POLBHTR2CNPC1RAB9ASMN1; SMN2
SCHEMBL6121679 1.00 POLB (0.53) POLBHTR2CNPC1RAB9ASMN1; SMN2
SCHEMBL14762457 0.94 POLB (0.48) POLBHTR2CNPC1RAB9ASMN1; SMN2
SCHEMBL29302473 0.91 POLB (0.54) POLBHTR2CNPC1RAB9ASMN1; SMN2
SCHEMBL15760369 0.91 POLB (0.52) POLBHTR2CNPC1RAB9ASMN1; SMN2
SCHEMBL29302751 0.91 POLB (0.54) POLBHTR2CNPC1RAB9ASMN1; SMN2
SCHEMBL14762898 0.89 POLB (0.45) POLBHTR2CNPC1RAB9ASMN1; SMN2
SCHEMBL15958489 0.88 POLB (0.53) POLBHTR2CNPC1RAB9ASMN1; SMN2
SCHEMBL29302475 0.88 POLB (0.53) POLBHTR2CNPC1RAB9ASMN1; SMN2

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-20170226111-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS JANSSEN SCIENCES IRELAND UC (IE) 2017-08-10 US disclosed
EP-2640719-A2 ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2013-09-25 EP disclosed
WO-2012068234-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-05-24 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-20170226111-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS CYP2A7, CYP3A7, HCCS POLB 2176/4885HTR2C 824/4885NPC1 514/4885

“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.