SCHEMBL5158518

SCHEMBL5158518

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.43
KMT2A Q03164 3/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
AVPR1A P37288 2/20 0.41
OXTR P30559 1/20 0.41
CNR1 P21554 4/20 0.40
CNR2 P34972 3/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.39
PPARA Q07869 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
NOTUM Q6P988 1/20 0.39
BRD4 O60885 2/20 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
SCHEMBL315925 0.83 NPY5R (0.44) AVPR1AOXTRCNR1CNR2NOTUM
SCHEMBL315737 0.82 NOTUM (0.56) HTTKMT2ALMNAMAPTKDM4E
SCHEMBL4126052 0.82 OXTR (0.63) AVPR1AOXTR
SCHEMBL5155966 0.80 AVPR1A (0.48) KMT2ASMN1; SMN2AVPR1AOXTRCNR1
SCHEMBL5158523 0.79 NPY5R (0.45) AVPR1AOXTRCNR1CNR2NOTUM
SCHEMBL315336 0.78 MAPT (0.53) HTTALDH1A1MAPTMAPK1KDM4E
SCHEMBL315574 0.78 CNR1 (0.55) KMT2ALMNAMEN1ALDH1A1SMN1; SMN2
SCHEMBL8277898 0.77 AVPR1A (0.46) KMT2ASMN1; SMN2AVPR1AOXTRPOLB
SCHEMBL315251 0.77 TRPA1 (0.46) HTTKMT2ALMNAMEN1ALDH1A1
SCHEMBL5424649 0.77 OXTR (0.45) KMT2AMEN1KDM4EAVPR1AOXTR

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 HTT 787/4885KMT2A 4644/4885LMNA 2386/4885

“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.