SCHEMBL5063244

SCHEMBL5063244

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

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 18/20 0.43
HSD17B3 P37058 1/20 0.41
AVPR1A P37288 5/20 0.40
OXTR P30559 1/20 0.40

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
SCHEMBL5064588 0.88 AVPR2 (0.46) AVPR2AVPR1A
SCHEMBL5068077 0.88 AVPR2 (0.46) AVPR2HSD17B3AVPR1A
SCHEMBL5066806 0.84 MAPT (0.45) AVPR2
SCHEMBL5058877 0.84 AVPR2 (0.62) AVPR2AVPR1AOXTR
SCHEMBL5068208 0.83 NPC1 (0.42) AVPR2AVPR1A
SCHEMBL5064583 0.81 AVPR2 (0.57) AVPR2AVPR1AOXTR
SCHEMBL5064582 0.81 AVPR2 (0.57) AVPR2AVPR1AOXTR
SCHEMBL2960705 0.81 HSD17B3 (0.43) AVPR2HSD17B3AVPR1AOXTR
SCHEMBL5068104 0.80 AVPR2 (0.46) AVPR2AVPR1AOXTR
SCHEMBL14339308 0.80 AVPR2 (0.48) AVPR2AVPR1AOXTR

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
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 AVPR2 1/4885HSD17B3 791/4885AVPR1A 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.