SCHEMBL10188840

SCHEMBL10188840

CCc1nc(C)nn1CC[C@@]1(c2ccccc2)C[C@H]1C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 14/20 0.35
HCRTR1 O43613 13/20 0.35
CNR2 P34972 2/20 0.34
CNR1 P21554 1/20 0.34
KCNH2 Q12809 1/20 0.33
TSHR P16473 1/20 0.33
OPRM1 P35372 3/20 0.32
OPRD1 P41143 3/20 0.32
OPRK1 P41145 3/20 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
SCHEMBL10188825 0.87 KMT2A (0.39) HCRTR2HCRTR1KCNH2TSHR
SCHEMBL10188838 0.82 HCRTR2 (0.33) HCRTR2HCRTR1CNR2KCNH2TSHR
SCHEMBL9950201 0.81 HCRTR2 (0.58) HCRTR2HCRTR1KCNH2
SCHEMBL10188835 0.80 CYP19A1 (0.46) HCRTR2HCRTR1CNR2CNR1KCNH2
SCHEMBL10188823 0.77 HCRTR2 (0.33) HCRTR2HCRTR1KCNH2
SCHEMBL9950958 0.77 HCRTR2 (0.35) HCRTR2HCRTR1CNR2CNR1
SCHEMBL10188815 0.77 HCRTR2 (0.36) HCRTR2HCRTR1KCNH2
SCHEMBL10188821 0.76 CCR5 (0.37) HCRTR2HCRTR1KCNH2
SCHEMBL9951344 0.76 HCRTR2 (0.33) HCRTR2HCRTR1KCNH2
SCHEMBL23357092 0.70 MAOB (0.41) HCRTR2HCRTR1

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-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 2/4885CNR2 4/4885

“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.