SCHEMBL4711541

SCHEMBL4711541

Cc1nnc(N2CCC(n3c(=O)[nH]c4cc(Cl)ccc43)CC2)n1-c1ccc(Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.58
HTR1A P08908 1/20 0.58
ADRA2A P08913 1/20 0.58
HTR2A P28223 1/20 0.58
SLC6A4 P31645 1/20 0.58
DRD3 P35462 1/20 0.58
CTSS P25774 3/20 0.53
OPRM1 P35372 6/20 0.52
CHRM1 P11229 6/20 0.49
PLD1 Q13393 3/20 0.49
PLD2 O14939 2/20 0.49
HSD11B1 P28845 1/20 0.48

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
SCHEMBL4713418 0.93 PLD2 (0.51) DRD2HTR1AADRA2AHTR2ASLC6A4
SCHEMBL4897490 0.92 OPRM1 (0.52) DRD2HTR1AADRA2AHTR2ASLC6A4
SCHEMBL4711335 0.90 OPRM1 (0.58) DRD2HTR1AADRA2AHTR2ASLC6A4
SCHEMBL4713593 0.83 AVPR1A (0.45) DRD2HTR1AADRA2AHTR2ASLC6A4
SCHEMBL4711275 0.76 DRD2 (0.46) DRD2SLC6A4CTSSHSD11B1
SCHEMBL10316252 0.76 DRD2 (0.76) DRD2HTR1AADRA2AHTR2ASLC6A4
SCHEMBL12575055 0.76 DRD2 (0.52) DRD2HTR1AADRA2AHTR2ASLC6A4
SCHEMBL26666399 0.75 DRD2 (0.70) DRD2HTR1AADRA2AHTR2ASLC6A4
SCHEMBL4444487 0.74 CHRM1 (0.72) DRD2HTR1AADRA2AHTR2ASLC6A4
SCHEMBL4903299 0.73 CCR5 (0.48) OPRM1

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 4 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
EP-1877399-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS Pfizer Limited (GB) 2008-01-16 EP claimed
WO-2006114706-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS PFIZER LIMITED (GB) 2006-11-02 WO claimed
US-20080188478-A1 Compounds Useful In Therapy PFIZER INC. 2008-08-07 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-20080188478-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 DRD2 353/4885HTR1A 101/4885ADRA2A 39/4885

“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.