SCHEMBL14130368

SCHEMBL14130368

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

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.39
PTGIR P43119 3/20 0.37
PTGDR Q13258 1/20 0.37
AVPR2 P30518 8/20 0.37
HDAC8 Q9BY41 5/20 0.36
AVPR1A P37288 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
OXTR P30559 1/20 0.35

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
SCHEMBL14130136 0.91 NPC1 (0.39) THRBPTGIRPTGDRAVPR2HDAC8
SCHEMBL14130178 0.90 PTGIR (0.38) THRBPTGIRPTGDRAVPR2HDAC8
SCHEMBL14130361 0.90 HCRTR1 (0.40) PTGIRPTGDRAVPR2HDAC8AVPR1A
SCHEMBL14130371 0.89 HCRTR2 (0.40) PTGIRPTGDRAVPR2HDAC8AVPR1A
SCHEMBL14130015 0.89 PTGIR (0.37) PTGIRPTGDRAVPR2HDAC8AVPR1A
SCHEMBL14129998 0.89 GHSR (0.42) PTGIRPTGDRAVPR2HDAC8AVPR1A
SCHEMBL14130405 0.86 AVPR2 (0.39) AVPR2AVPR1AMEN1KMT2AOXTR
SCHEMBL14130356 0.85 AVPR2 (0.45) AVPR2AVPR1AOXTR
SCHEMBL14130169 0.84 AVPR2 (0.41) AVPR2AVPR1AMEN1KMT2A
SCHEMBL14130466 0.84 CACNA1G (0.43) THRBPTGIRAVPR2AVPR1AOXTR

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 THRB 699/4885PTGIR 258/4885PTGDR 114/4885

“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.