SCHEMBL4621110

SCHEMBL4621110

Cc1nnc(N2CCC3(CC2)c2ccccc2C(=O)N3C)n1-c1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 1/20 0.41
TRPA1 O75762 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
PGR P06401 6/20 0.39
BRD4 O60885 4/20 0.39
CCR5 P51681 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL4620669 0.80 AVPR1A (0.52) AVPR1ACYP2D6
SCHEMBL4679051 0.80 TNKS (0.43) AVPR1ATRPA1TRPM8PGRBRD4
SCHEMBL4621149 0.74 SIGMAR1 (0.45) AVPR1ATRPA1TRPM8BRD4ALDH1A1
SCHEMBL4621637 0.73 AVPR1A (0.50) AVPR1A
SCHEMBL4643814 0.71 BRD4 (0.50) AVPR1ATRPA1TRPM8BRD4KMT2A
SCHEMBL316202 0.71 TRPA1 (0.41) AVPR1ATRPA1TRPM8BRD4KMT2A
SCHEMBL315782 0.71 CNR1 (0.54) AVPR1ATRPA1TRPM8BRD4
SCHEMBL8843237 0.70 HRH3 (0.53) PGRCCR5HRH3KMT2AKDM4E
SCHEMBL314945 0.70 OPRM1 (0.47) AVPR1ATRPA1TRPM8BRD4ALDH1A1
SCHEMBL27648949 0.70 CNR1 (0.42) AVPR1ATRPA1TRPM8BRD4KMT2A

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 7 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
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 AVPR1A 1/4885TRPA1 495/4885TRPM8 147/4885

“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.