SCHEMBL4897426

SCHEMBL4897426

Cc1nnc(N2CCC(Nc3ccccc3N)CC2)n1-c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 6/20 0.44
OXTR P30559 6/20 0.42
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
BRD4 O60885 4/20 0.41
CNR1 P21554 7/20 0.40
TRPA1 O75762 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
CNR2 P34972 5/20 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
SCHEMBL5158020 0.85 AVPR1A (0.41) AVPR1AOXTRCNR1CNR2
SCHEMBL5155753 0.85 AVPR1A (0.42) AVPR1AOXTRBRD4CNR1TRPA1
SCHEMBL8256065 0.85 AVPR1A (0.47) AVPR1AOXTRBRD4CNR1TRPA1
SCHEMBL8258148 0.83 MAPK1 (0.49) AVPR1AOXTRGAAMAPTCNR1
SCHEMBL5428048 0.81 AVPR1A (0.52) AVPR1AOXTRCNR1TRPA1TRPM8
SCHEMBL5436405 0.81 CNR1 (0.55) AVPR1AOXTRBRD4CNR1TRPA1
SCHEMBL8277898 0.81 AVPR1A (0.46) AVPR1AOXTRBRD4TRPA1TRPM8
Hydrochloric Acid SCHEMBL5443700 0.79 AVPR1A (0.46) AVPR1AOXTRBRD4TRPA1TRPM8
SCHEMBL8255900 0.79 OXTR (0.43) AVPR1AOXTRBRD4CNR1CNR2
SCHEMBL8256810 0.78 AVPR1A (0.48) AVPR1AOXTRKDM4EBRD4TRPA1

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 disclosed
US-20080188478-A1 Compounds Useful In Therapy PFIZER INC. 2008-08-07 US disclosed
US-20070225333-A1 3-Heterocyclyl-4-Phenyl-Triazole Derivatives as Inhibitors of the Vasopressin Via Receptor BRYANS JUSTIN S 2007-09-27 US disclosed
US-20070225333-A1 3-Heterocyclyl-4-Phenyl-Triazole Derivatives as Inhibitors of the Vasopressin Via Receptor BRYANS JUSTIN S 2007-09-27 US disclosed
US-20070225333-A1 3-Heterocyclyl-4-Phenyl-Triazole Derivatives as Inhibitors of the Vasopressin Via Receptor BRYANS JUSTIN S 2007-09-27 US disclosed
WO-2005105779-A1 3-HETEROCYCLYL-4-PHENYL-TRIAZOLE DERIVATIVES AS INHIBITORS OF THE VASOPRESSIN V1A RECEPTOR PFIZER LIMITED (GB) 2005-11-10 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 (2 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-20070225333-A1 3-Heterocyclyl-4-Phenyl-Triazole Derivatives as Inhibitors of the Vasopressin Via Receptor AVPR2, RXFP3, AVPR1A AVPR1A 3/4885OXTR 9/4885KDM4E 4809/4885
US-20080188478-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 AVPR1A 1/4885OXTR 5/4885KDM4E 3387/4885

“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.