SCHEMBL14130533

SCHEMBL14130533

C[C@@H]1CN(C(=O)c2ccc(OCC(F)(F)F)cc2Cl)c2ccccc2CN1C(=O)NCC(=O)N(C)CCCO

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.36
HCRTR2 O43614 2/20 0.36
CACNA1G O43497 2/20 0.36
CACNA1H O95180 2/20 0.36
CACNA1I Q9P0X4 2/20 0.36
AVPR2 P30518 15/20 0.35
AVPR1A P37288 4/20 0.35
OXTR P30559 1/20 0.35
PTGIR P43119 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
SCHEMBL14130571 0.93 AVPR2 (0.36) HCRTR1HCRTR2CACNA1GCACNA1HCACNA1I
SCHEMBL14130196 0.92 HCRTR1 (0.36) HCRTR1HCRTR2CACNA1GCACNA1HCACNA1I
SCHEMBL14130241 0.92 CACNA1G (0.37) CACNA1GCACNA1HCACNA1IAVPR2AVPR1A
SCHEMBL14130384 0.91 HCRTR1 (0.38) HCRTR1HCRTR2CACNA1GCACNA1HCACNA1I
SCHEMBL14130308 0.89 HCRTR1 (0.36) HCRTR1HCRTR2CACNA1GCACNA1HCACNA1I
SCHEMBL14130561 0.89 BCL2 (0.36) HCRTR1HCRTR2CACNA1GCACNA1HCACNA1I
SCHEMBL14130504 0.89 CACNA1G (0.39) HCRTR1HCRTR2CACNA1GCACNA1HCACNA1I
SCHEMBL14130560 0.89 HCRTR1 (0.36) HCRTR1HCRTR2CACNA1GCACNA1HCACNA1I
SCHEMBL14130531 0.89 HCRTR1 (0.36) HCRTR1HCRTR2CACNA1GCACNA1HCACNA1I
SCHEMBL14130383 0.88 HCRTR1 (0.38) HCRTR1HCRTR2CACNA1GCACNA1HCACNA1I

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-20080161294-A1 Urea derivative, medicinal composition containing the same, and medicinal use of these KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-07-03 US disclosed
US-20080161294-A1 Urea derivative, medicinal composition containing the same, and medicinal use of these KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-07-03 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-20080161294-A1 Urea derivative, medicinal composition containing the same, and medicinal use of these AVPR2, UTS2R, GPR119 HCRTR1 119/4885HCRTR2 109/4885CACNA1G 3324/4885

“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.