SCHEMBL9950361

SCHEMBL9950361

Cc1nc(C(F)(F)F)nn1CC[C@@]1(c2ccccc2)C[C@H]1C(=O)Nc1ccc(C#N)cn1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 20/20 0.59
HCRTR1 O43613 19/20 0.57
CYP2C8 P10632 1/20 0.52
CYP2C19 P33261 1/20 0.52
KCNH2 Q12809 1/20 0.43

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
SCHEMBL9950392 0.89 HCRTR2 (0.55) HCRTR2HCRTR1KCNH2
SCHEMBL9951194 0.88 HCRTR2 (0.55) HCRTR2HCRTR1KCNH2
SCHEMBL10189120 0.88 HCRTR2 (0.59) HCRTR2HCRTR1CYP2C8CYP2C19KCNH2
SCHEMBL9951038 0.87 HCRTR2 (0.60) HCRTR2HCRTR1CYP2C8CYP2C19KCNH2
SCHEMBL10188821 0.80 CCR5 (0.37) HCRTR2HCRTR1KCNH2
SCHEMBL10241695 0.80 HCRTR2 (0.40) HCRTR2HCRTR1CYP2C8CYP2C19
SCHEMBL10189139 0.80 HCRTR1 (0.51) HCRTR2HCRTR1
SCHEMBL9950683 0.79 HCRTR2 (0.61) HCRTR2HCRTR1KCNH2
SCHEMBL9949995 0.77 HCRTR2 (0.62) HCRTR2HCRTR1KCNH2
SCHEMBL9950544 0.77 HCRTR2 (0.56) 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 3 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 claimed
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 2/4885CYP2C8 2398/4885

“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.