SCHEMBL5232249

SCHEMBL5232249

CCN1CCCN(C(=O)c2ccc(C#N)c(C)c2)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 5/20 0.46
AVPR2 P30518 9/20 0.41
AVPR1A P37288 2/20 0.40
OXTR P30559 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL5234007 0.89 SLC22A12 (0.44) SLC22A12AVPR2AVPR1A
SCHEMBL5229164 0.83 AVPR2 (0.43) SLC22A12AVPR2AVPR1AOXTRSMN1; SMN2
Hydrochloric Acid SCHEMBL5235888 0.80 AVPR2 (0.47) AVPR2
SCHEMBL1346034 0.80 SLC22A12 (0.61) SLC22A12AVPR2AVPR1AOXTRPDE4A
SCHEMBL5235559 0.78 AVPR1A (0.57) SLC22A12AVPR2AVPR1AOXTRPDE4A
SCHEMBL5230491 0.78 AVPR2 (0.57) SLC22A12AVPR2AVPR1APDE4APDE4B
SCHEMBL6202811 0.73 BRD4 (0.60) SLC22A12TSHRSMN1; SMN2
SCHEMBL4837451 0.72 AVPR1A (0.54) SLC22A12AVPR2AVPR1AOXTRSMN1; SMN2
SCHEMBL2938321 0.72 AVPR2 (0.47) AVPR2AVPR1APDE4APDE4BPDE4C
SCHEMBL5230053 0.72 AVPR2 (0.74) AVPR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1294698-B1 FUSED AZEPINE DERIVATIVES AND THEIR USE AS ANTIDIURETIC AGENTS FERRING BV (NL) 2007-08-01 EP disclosed
US-7176195-B2 Fused azepine derivatives and their use as antidiuretic agents FERRING BV (NL) 2007-02-13 US disclosed
US-20040038962-A1 Fused azepine derivatives and their use as antidiuretic agents VANTIA LIMITED (GB) 2004-02-26 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-20040038962-A1 Fused azepine derivatives and their use as antidiuretic agents AVPR2, AVPR1A, AVPR1B SLC22A12 1223/4885AVPR2 1/4885AVPR1A 2/4885

“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.