SCHEMBL2610472

SCHEMBL2610472

Cc1ncc(N(C)C(C)[C@@]2(c3cccc(F)c3)C[C@H]2C=O)c(C)n1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 8/20 0.39
HCRTR2 O43614 8/20 0.39
KCNH2 Q12809 3/20 0.39
KDM1A O60341 2/20 0.34
OPRL1 P41146 9/20 0.34
OPRM1 P35372 8/20 0.34
CCR2 P41597 1/20 0.31

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
SCHEMBL2610473 0.83 HCRTR1 (0.43) HCRTR1HCRTR2KCNH2KDM1AOPRL1
SCHEMBL2610468 0.82 HCRTR1 (0.41) HCRTR1HCRTR2KCNH2KDM1AOPRL1
SCHEMBL2610476 0.80 HCRTR1 (0.40) HCRTR1HCRTR2KCNH2KDM1AOPRL1
SCHEMBL15161946 0.79 HCRTR1 (0.43) HCRTR1HCRTR2KCNH2KDM1AOPRL1
SCHEMBL2610469 0.75 HCRTR1 (0.36) HCRTR1HCRTR2KCNH2
SCHEMBL24533938 0.71 HCRTR1 (0.62) HCRTR1HCRTR2KCNH2
SCHEMBL22666392 0.71 HCRTR1 (0.62) HCRTR1HCRTR2KCNH2
SCHEMBL2116979 0.71 HCRTR1 (0.62) HCRTR1HCRTR2KCNH2
SCHEMBL2116844 0.69 HCRTR1 (0.51) HCRTR1HCRTR2KCNH2
SCHEMBL15161960 0.69 HCRTR1 (0.51) HCRTR1HCRTR2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268848-B2 Cyclopropane compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-09-18 US disclosed
US-20120095031-A1 CYCLOPROPANE COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-19 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-20120095031-A1 CYCLOPROPANE COMPOUND HCRTR1, HCRTR2, CNR1 HCRTR1 1/4885HCRTR2 2/4885KCNH2 369/4885

“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.