SCHEMBL4713593

SCHEMBL4713593

Cc1nnc(N2CCC(n3c(=O)[nH]c4cccnc43)CC2)n1-c1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 3/20 0.45
OPRM1 P35372 4/20 0.43
TNKS O95271 4/20 0.42
TNKS2 Q9H2K2 1/20 0.42
DRD2 P14416 4/20 0.40
KCNH2 Q12809 3/20 0.40
CHRM1 P11229 1/20 0.40
DRD3 P35462 3/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
HTR2A P28223 1/20 0.40
SLC6A4 P31645 1/20 0.40
OXTR P30559 2/20 0.38
PARP1 P09874 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
CALCRL Q16602 1/20 0.38
PLD2 O14939 1/20 0.37
PLD1 Q13393 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4D Q08499 1/20 0.37

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
SCHEMBL8257302 0.88 OPRM1 (0.43) OPRM1TNKSTNKS2DRD2KCNH2
SCHEMBL4711335 0.87 OPRM1 (0.58) OPRM1DRD2KCNH2CHRM1DRD3
SCHEMBL4897490 0.83 OPRM1 (0.52) OPRM1DRD2KCNH2CHRM1DRD3
SCHEMBL4711541 0.83 DRD2 (0.58) OPRM1DRD2CHRM1DRD3HTR1A
SCHEMBL4712455 0.82 AVPR1A (0.44) AVPR1AKCNH2OXTRCALCRLPDE4B
SCHEMBL4760978 0.80 AVPR1A (0.47) AVPR1AOXTRPDE4BPDE4D
SCHEMBL4713418 0.80 PLD2 (0.51) OPRM1DRD2CHRM1DRD3HTR1A
SCHEMBL4714355 0.78 AVPR1A (0.47) AVPR1ADRD2KCNH2SLC6A4OXTR
SCHEMBL4711275 0.75 DRD2 (0.46) AVPR1ADRD2SLC6A4OXTR
SCHEMBL5436364 0.74 AVPR1A (0.53) AVPR1AOXTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080188478-A1 Compounds Useful In Therapy PFIZER INC. 2008-08-07 US claimed
US-20080188478-A1 Compounds Useful In Therapy PFIZER INC. 2008-08-07 US disclosed
US-20080188478-A1 Compounds Useful In Therapy PFIZER INC. 2008-08-07 US disclosed
US-20080188478-A1 Compounds Useful In Therapy PFIZER INC. 2008-08-07 US disclosed
EP-1877399-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS Pfizer Limited (GB) 2008-01-16 EP disclosed
WO-2006114706-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS PFIZER LIMITED (GB) 2006-11-02 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-20080188478-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 AVPR1A 1/4885OPRM1 11/4885TNKS 4551/4885

“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.