SCHEMBL4621149

SCHEMBL4621149

Cc1nnc(N2CCC3(CCc4ccccc43)CC2)n1-c1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 13/20 0.45
IDO1 P14902 2/20 0.44
TDO2 P48775 2/20 0.44
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
BRD4 O60885 1/20 0.42
HSD11B1 P28845 1/20 0.42
TRPA1 O75762 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
AVPR1A P37288 1/20 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
SCHEMBL4643814 0.82 BRD4 (0.50) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4621637 0.81 AVPR1A (0.50) AVPR1A
SCHEMBL4620922 0.77 BRD4 (0.46) ALDH1A1TP53BRD4TRPA1TRPM8
SCHEMBL4620669 0.75 AVPR1A (0.52) SIGMAR1CYP2D6HSD11B1AVPR1A
SCHEMBL4621110 0.74 AVPR1A (0.41) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4679051 0.74 TNKS (0.43) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL314945 0.73 OPRM1 (0.47) ALDH1A1BRD4TRPA1TRPM8AVPR1A
SCHEMBL8250108 0.73 BRD4 (0.34) BRD4TRPA1TRPM8AVPR1A
SCHEMBL316202 0.72 TRPA1 (0.41) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL315782 0.72 CNR1 (0.54) BRD4TRPA1TRPM8AVPR1A

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 SIGMAR1 9/4885IDO1 3752/4885TDO2 3569/4885

“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.