SCHEMBL14130249

SCHEMBL14130249

CCOc1ccc(C(=O)N2C[C@@H](C)N(C(=O)NCC(=O)N3CC[C@@H](O)C3)Cc3ccccc32)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OXTR P30559 1/20 0.38
CACNA1G O43497 1/20 0.38
CACNA1H O95180 1/20 0.38
CACNA1I Q9P0X4 1/20 0.38
AVPR2 P30518 10/20 0.36
POLB P06746 1/20 0.36
AVPR1A P37288 2/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 1/20 0.35
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
MMP1 P03956 1/20 0.34
MMP9 P14780 1/20 0.34
MMP13 P45452 1/20 0.34
ADAM17 P78536 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
SCHEMBL14130410 1.00 OXTR (0.38) OXTRCACNA1GCACNA1HCACNA1IAVPR2
SCHEMBL14130115 0.96 OXTR (0.39) OXTRCACNA1GCACNA1HCACNA1IAVPR2
SCHEMBL14130073 0.92 HCRTR1 (0.37) OXTRCACNA1GCACNA1HCACNA1IAVPR2
SCHEMBL14130472 0.92 HCRTR1 (0.37) OXTRCACNA1GCACNA1HCACNA1IAVPR2
SCHEMBL14130572 0.91 OXTR (0.39) OXTRCACNA1GCACNA1HCACNA1IAVPR2
SCHEMBL14130329 0.91 OXTR (0.38) OXTRCACNA1GCACNA1HCACNA1IAVPR2
SCHEMBL14130565 0.90 CACNA1G (0.39) OXTRCACNA1GCACNA1HCACNA1IAVPR2
SCHEMBL14130540 0.89 CACNA1G (0.38) OXTRCACNA1GCACNA1HCACNA1IAVPR2
SCHEMBL14130251 0.89 AVPR2 (0.42) OXTRCACNA1GCACNA1HCACNA1IAVPR2
SCHEMBL14130134 0.87 CACNA1G (0.44) OXTRCACNA1GCACNA1HCACNA1IAVPR2

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 OXTR 84/4885CACNA1G 3324/4885CACNA1H 3214/4885

“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.