SCHEMBL4619490

SCHEMBL4619490

Clc1ccc(-n2c(Cn3nccn3)nnc2N2Cc3ccccc3C2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
CYP19A1 P11511 1/20 0.36
CETP P11597 1/20 0.35
AVPR1A P37288 3/20 0.35
HSD17B10 Q99714 2/20 0.34
GLA P06280 1/20 0.34
KDM4E B2RXH2 3/20 0.33
TSHR P16473 2/20 0.33
USP2 O75604 1/20 0.33
MAPT P10636 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
DRD4 P21917 1/20 0.33
MAPK13 O15264 1/20 0.32
MAPK12 P53778 1/20 0.32
MAPK11 Q15759 1/20 0.32
MAPK14 Q16539 1/20 0.32
AKR1C3 P42330 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL4887345 0.89 TIPARP (0.36) TRPA1TRPM8AVPR1AHSD17B10KDM4E
SCHEMBL4685446 0.86 DRD2 (0.35) TRPA1TRPM8AVPR1AKDM4ETSHR
SCHEMBL4681115 0.83 TRPA1 (0.32) TRPA1TRPM8HSD17B10KDM4ETSHR
SCHEMBL4884416 0.83 USP2 (0.35) TRPA1TRPM8AVPR1AHSD17B10TSHR
SCHEMBL4740390 0.83 TRPA1 (0.30) TRPA1TRPM8AVPR1AOXTR
SCHEMBL4876933 0.81 AVPR2 (0.33) TRPA1TRPM8AVPR1AUSP2OXTR
SCHEMBL4624366 0.80 TRPA1 (0.34) TRPA1TRPM8AVPR1AHSD17B10KDM4E
SCHEMBL4622389 0.80 TRPA1 (0.38) TRPA1TRPM8AVPR1AHSD17B10KDM4E
SCHEMBL4619815 0.79 OXTR (0.49) AVPR1AHSD17B10MAPTRAB9AOXTR
SCHEMBL4685389 0.79 AVPR1A (0.38) TRPA1TRPM8AVPR1AKDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080234252-A1 Compounds Useful in Therapy PFIZER INC 2008-09-25 US claimed
EP-1885713-A1 1, 2, 4 -TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS Pfizer Limited (GB) 2008-02-13 EP claimed
WO-2006123242-A1 1, 2, 4 -TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS PFIZER LIMITED (GB) 2006-11-23 WO claimed
US-20080234252-A1 Compounds Useful in Therapy PFIZER INC 2008-09-25 US disclosed
US-20080234252-A1 Compounds Useful in Therapy PFIZER INC 2008-09-25 US disclosed
US-20080234252-A1 Compounds Useful in Therapy PFIZER INC 2008-09-25 US disclosed
EP-1885713-A1 1, 2, 4 -TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS Pfizer Limited (GB) 2008-02-13 EP disclosed
WO-2006123242-A1 1, 2, 4 -TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS PFIZER LIMITED (GB) 2006-11-23 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-20080234252-A1 Compounds Useful in Therapy AVPR1A, AVPR1B, AVPR2 TRPA1 495/4885TRPM8 147/4885CYP19A1 86/4885

“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.