SCHEMBL14130309

SCHEMBL14130309

C[C@@H]1CN(C(=O)c2ccc(OCC(F)(F)F)cc2Cl)c2ccccc2CN1C(=O)N1CCC[C@@H]1C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.38
HCRTR2 O43614 2/20 0.38
AVPR2 P30518 12/20 0.38
SPHK2 Q9NRA0 1/20 0.36
SPHK1 Q9NYA1 1/20 0.36
AVPR1A P37288 2/20 0.35
PDK2 Q15119 1/20 0.34
ENPP2 Q13822 1/20 0.34
HTR1A P08908 1/20 0.34
HTR7 P34969 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
SCHEMBL14130104 1.00 HCRTR1 (0.38) HCRTR1HCRTR2AVPR2SPHK2SPHK1
SCHEMBL14130046 0.93 HCRTR1 (0.39) HCRTR1HCRTR2AVPR2AVPR1A
SCHEMBL14130218 0.93 HCRTR1 (0.39) HCRTR1HCRTR2AVPR2AVPR1A
SCHEMBL14130322 0.92 AVPR2 (0.38) HCRTR1HCRTR2AVPR2AVPR1APDK2
SCHEMBL14130510 0.92 AVPR2 (0.38) HCRTR1HCRTR2AVPR2AVPR1APDK2
SCHEMBL5063182 0.89 HCRTR1 (0.39) HCRTR1HCRTR2AVPR2SPHK2AVPR1A
SCHEMBL14130493 0.89 HCRTR1 (0.39) HCRTR1HCRTR2AVPR2SPHK2AVPR1A
SCHEMBL14130330 0.88 HCRTR1 (0.38) HCRTR1HCRTR2AVPR2AVPR1A
SCHEMBL5059003 0.88 HCRTR1 (0.38) HCRTR1HCRTR2AVPR2AVPR1A
SCHEMBL14130331 0.88 HCRTR1 (0.39) HCRTR1HCRTR2AVPR2AVPR1A

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 109/4885AVPR2 1/4885

“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.