SCHEMBL5158523

SCHEMBL5158523

Cc1nnc(N2CCC(N(C)C(=O)O)CC2)n1-c1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 5/20 0.45
AVPR1A P37288 5/20 0.42
NOTUM Q6P988 1/20 0.40
OXTR P30559 4/20 0.39
CNR1 P21554 2/20 0.39
CNR2 P34972 1/20 0.39
TRPA1 O75762 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
CCR5 P51681 1/20 0.38
F10 P00742 2/20 0.38
LSS P48449 1/20 0.38
MCHR1 Q99705 1/20 0.37
PDK2 Q15119 1/20 0.36

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
SCHEMBL8277787 0.85 NPY5R (0.41) NPY5RAVPR1AOXTRCNR1CNR2
SCHEMBL315737 0.83 NOTUM (0.56) AVPR1ANOTUMOXTRTRPA1TRPM8
SCHEMBL315925 0.81 NPY5R (0.44) NPY5RAVPR1ANOTUMOXTRCNR1
SCHEMBL14485331 0.81 NPY5R (0.58) NPY5RNOTUMF10LSSMCHR1
SCHEMBL4126055 0.81 OXTR (0.63) AVPR1AOXTR
SCHEMBL5155966 0.80 AVPR1A (0.48) AVPR1ANOTUMOXTRCNR1CNR2
SCHEMBL5426182 0.80 AVPR1A (0.54) AVPR1AOXTRCNR1CNR2TRPA1
SCHEMBL5158518 0.79 HTT (0.43) AVPR1ANOTUMOXTRCNR1CNR2
SCHEMBL315251 0.78 TRPA1 (0.46) TRPA1TRPM8
SCHEMBL5424649 0.78 OXTR (0.45) AVPR1ANOTUMOXTRCNR1CNR2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070225333-A1 3-Heterocyclyl-4-Phenyl-Triazole Derivatives as Inhibitors of the Vasopressin Via Receptor BRYANS JUSTIN S 2007-09-27 US disclosed
EP-1742932-A1 3-HETEROCYCLYL-4-PHENYL-TRIAZOLE DERIVATIVES AS INHIBITORS OF THE VASOPRESSIN V1A RECEPTOR Pfizer Limited (GB) 2007-01-17 EP disclosed
WO-2005105779-A1 3-HETEROCYCLYL-4-PHENYL-TRIAZOLE DERIVATIVES AS INHIBITORS OF THE VASOPRESSIN V1A RECEPTOR PFIZER LIMITED (GB) 2005-11-10 WO 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-20070225333-A1 3-Heterocyclyl-4-Phenyl-Triazole Derivatives as Inhibitors of the Vasopressin Via Receptor AVPR2, RXFP3, AVPR1A NPY5R 195/4885AVPR1A 3/4885NOTUM 4698/4885

“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.