SCHEMBL9950889

SCHEMBL9950889

CCn1cc(OC[C@@]2(c3cccc(F)c3)C[C@H]2CO)c(C)n1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 14/20 0.45
HCRTR1 O43613 13/20 0.45
KCNH2 Q12809 4/20 0.42
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
OPRD1 P41143 1/20 0.32
CPB2 Q96IY4 1/20 0.32
KDM1A O60341 1/20 0.32
RCOR1 Q9UKL0 1/20 0.32
MC4R P32245 1/20 0.32
MC5R P33032 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
SCHEMBL9951178 0.88 HCRTR2 (0.55) HCRTR2HCRTR1KCNH2
SCHEMBL10188723 0.88 HCRTR2 (0.55) HCRTR2HCRTR1KCNH2
SCHEMBL9950652 0.85 HCRTR2 (0.55) HCRTR2HCRTR1KCNH2
SCHEMBL9951705 0.83 HCRTR2 (0.46) HCRTR2HCRTR1KCNH2SLC6A2SLC6A4
SCHEMBL9951448 0.82 HCRTR2 (0.42) HCRTR2HCRTR1KCNH2
SCHEMBL9951182 0.80 HCRTR2 (0.58) HCRTR2HCRTR1KCNH2
SCHEMBL19124706 0.79 HCRTR1 (0.63) HCRTR2HCRTR1KCNH2
SCHEMBL22666389 0.79 HCRTR1 (0.63) HCRTR2HCRTR1KCNH2
SCHEMBL2116673 0.79 HCRTR1 (0.63) HCRTR2HCRTR1KCNH2
SCHEMBL29521573 0.79 HCRTR1 (0.63) HCRTR2HCRTR1KCNH2

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-20120165339-A1 CYCLOPROPANE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-06-28 US disclosed
US-20120165339-A1 CYCLOPROPANE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-06-28 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-20120165339-A1 CYCLOPROPANE DERIVATIVES HCRTR2, HCRTR1, CNR1 HCRTR2 1/4885HCRTR1 2/4885KCNH2 1409/4885

“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.