SCHEMBL5063405

SCHEMBL5063405

C[C@@H]1CN(C(=O)c2ccc(OCC(F)(F)F)cc2Cl)c2ccccc2CN1C(=O)NCC(=O)N1CCNCC1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 1/20 0.36
CACNA1H O95180 1/20 0.36
CACNA1I Q9P0X4 1/20 0.36
HCRTR1 O43613 2/20 0.36
HCRTR2 O43614 2/20 0.36
AVPR2 P30518 14/20 0.35
AVPR1A P37288 5/20 0.35
POLB P06746 1/20 0.35
SLC5A1 P13866 1/20 0.35
OXTR P30559 1/20 0.34

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
SCHEMBL14130337 0.94 AVPR2 (0.39) CACNA1GCACNA1HCACNA1IHCRTR1HCRTR2
SCHEMBL14130473 0.93 CACNA1G (0.37) CACNA1GCACNA1HCACNA1IHCRTR1HCRTR2
SCHEMBL14130166 0.92 AVPR2 (0.37) CACNA1GCACNA1HCACNA1IHCRTR1HCRTR2
SCHEMBL14130540 0.92 CACNA1G (0.38) CACNA1GCACNA1HCACNA1IAVPR2AVPR1A
SCHEMBL14130199 0.90 AVPR2 (0.38) CACNA1GCACNA1HCACNA1IAVPR2AVPR1A
SCHEMBL14130311 0.90 LIPE (0.38) CACNA1GCACNA1HCACNA1IHCRTR1HCRTR2
SCHEMBL14130472 0.90 HCRTR1 (0.37) CACNA1GCACNA1HCACNA1IHCRTR1HCRTR2
SCHEMBL14130073 0.90 HCRTR1 (0.37) CACNA1GCACNA1HCACNA1IHCRTR1HCRTR2
SCHEMBL14130443 0.88 CACNA1G (0.42) CACNA1GCACNA1HCACNA1IHCRTR1HCRTR2
SCHEMBL14130325 0.88 CACNA1G (0.41) CACNA1GCACNA1HCACNA1IHCRTR1HCRTR2

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 4 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
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
EP-1867639-A1 UREA DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE OF THESE Kissei Pharmaceutical Co., Ltd. (JP) 2007-12-19 EP 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 CACNA1G 3324/4885CACNA1H 3214/4885CACNA1I 3150/4885

“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.