SCHEMBL420096

SCHEMBL420096

CC(C)(C)N(CC1(C#N)CCC(OCc2ccccc2)CC1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.46
OPRL1 P41146 2/20 0.46
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSK P43235 1/20 0.41
DPP4 P27487 1/20 0.41
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SIGMAR1 Q99720 2/20 0.38
EPHX2 P34913 1/20 0.37
BCHE P06276 2/20 0.37
NAAA Q02083 5/20 0.36
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 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
SCHEMBL418754 0.85 CTSL (0.41) CTSLCTSBCTSKDPP4MEN1
SCHEMBL419821 0.79 LMNA (0.34) CTSLCTSBCTSKDPP4MEN1
SCHEMBL14661931 0.77 OPRM1 (0.51) OPRM1OPRL1CTSLCTSBCTSK
SCHEMBL3701999 0.76 OPRM1 (0.54) OPRM1OPRL1CTSLCTSBCTSK
SCHEMBL28093355 0.74 OPRM1 (0.50) OPRM1OPRL1CTSLCTSBCTSK
SCHEMBL10144396 0.73 OPRM1 (0.48) OPRM1OPRL1CTSLCTSBCTSK
SCHEMBL5402661 0.72 OPRM1 (0.62) OPRM1OPRL1CTSLCTSBCTSK
SCHEMBL14661822 0.70 OPRM1 (0.47) OPRM1OPRL1CTSLCTSBCTSK
SCHEMBL1551563 0.70 OPRM1 (0.55) OPRM1OPRL1CTSLCTSBCTSK
SCHEMBL651048 0.69 OPRM1 (0.57) OPRM1OPRL1CTSLCTSBCTSK

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-20120022045-A1 BRIDGED COMPOUNDS AS HIV INTEGRASE INHIBITORS VENKATRAMAN SHANKAR (US) 2012-01-26 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-20120022045-A1 BRIDGED COMPOUNDS AS HIV INTEGRASE INHIBITORS CCND3, CDK3, CDK2 OPRM1 2843/4885OPRL1 3900/4885CTSL 2286/4885

“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.