SCHEMBL2610477

SCHEMBL2610477

Cc1ncc(CC(C)[C@@]2(c3cccc(F)c3)C[C@H]2CO)c(C)n1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 10/20 0.41
HCRTR2 O43614 10/20 0.41
KCNH2 Q12809 3/20 0.41
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
KDM1A O60341 2/20 0.32
CCR5 P51681 1/20 0.32
CCR2 P41597 1/20 0.32

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
SCHEMBL2610478 0.84 HCRTR1 (0.45) HCRTR1HCRTR2KCNH2CCR2
SCHEMBL2610476 0.83 HCRTR1 (0.40) HCRTR1HCRTR2KCNH2HTR2AHTR2C
SCHEMBL2610468 0.81 HCRTR1 (0.41) HCRTR1HCRTR2KCNH2HTR2AHTR2C
SCHEMBL2610456 0.81 HCRTR1 (0.48) HCRTR1HCRTR2KCNH2
SCHEMBL2610457 0.75 HTR2A (0.43) HTR2AHTR2CHTR2BSLC6A2SLC6A4
SCHEMBL22666389 0.72 HCRTR1 (0.63) HCRTR1HCRTR2KCNH2
SCHEMBL29521573 0.72 HCRTR1 (0.63) HCRTR1HCRTR2KCNH2
SCHEMBL19124706 0.72 HCRTR1 (0.63) HCRTR1HCRTR2KCNH2
SCHEMBL2116673 0.72 HCRTR1 (0.63) HCRTR1HCRTR2KCNH2
SCHEMBL2610688 0.69 HCRTR1 (0.52) 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.