SCHEMBL14130375

SCHEMBL14130375

C[C@@H]1CN(C(=O)c2ccc(-n3ccc(CO)n3)cc2Cl)c2ccccc2CN1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 20/20 0.52
AVPR1A P37288 8/20 0.50
OXTR P30559 3/20 0.50
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL14130377 0.89 AVPR2 (0.66) AVPR2AVPR1AOXTRCYP3A4CYP2C19
SCHEMBL5058917 0.85 AVPR2 (0.64) AVPR2AVPR1AOXTR
SCHEMBL14130144 0.85 AVPR2 (0.64) AVPR2AVPR1AOXTR
SCHEMBL14130385 0.82 AVPR2 (0.45) AVPR2AVPR1AOXTR
SCHEMBL5066826 0.81 AVPR2 (0.64) AVPR2AVPR1A
SCHEMBL14130376 0.80 AVPR2 (0.48) AVPR2AVPR1AOXTR
SCHEMBL14130379 0.79 AVPR2 (0.61) AVPR2AVPR1AOXTR
SCHEMBL14130002 0.78 AVPR2 (0.54) AVPR2AVPR1AOXTRCYP3A4CYP2C19
SCHEMBL14130260 0.78 AVPR2 (0.48) AVPR2AVPR1AOXTRCYP3A4CYP2C19
SCHEMBL14130044 0.78 AVPR2 (0.53) AVPR2AVPR1A

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 AVPR2 1/4885AVPR1A 4/4885OXTR 84/4885

“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.