SCHEMBL5230491

SCHEMBL5230491

Cc1cc(C(=O)N2CCCSc3ccccc32)ccc1C#N

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 3/20 0.57
AVPR1A P37288 3/20 0.57
SLC22A12 Q96S37 6/20 0.46
NOTUM Q6P988 1/20 0.44
DRD4 P21917 1/20 0.42
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
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
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL5230382 0.80 AVPR2 (0.57) AVPR2AVPR1ANOTUMDRD4HDAC1
SCHEMBL1346034 0.80 SLC22A12 (0.61) AVPR2AVPR1ASLC22A12PDE4APDE4B
SCHEMBL5232249 0.78 SLC22A12 (0.46) AVPR2AVPR1ASLC22A12PDE4APDE4B
SCHEMBL5235559 0.78 AVPR1A (0.57) AVPR2AVPR1ASLC22A12PDE4APDE4B
SCHEMBL5234007 0.77 SLC22A12 (0.44) AVPR2AVPR1ASLC22A12
SCHEMBL7350302 0.75 AVPR2 (0.60) AVPR2AVPR1ANOTUMDRD4HDAC1
SCHEMBL4837451 0.75 AVPR1A (0.54) AVPR2AVPR1ASLC22A12SMN1; SMN2KDM4E
SCHEMBL6202811 0.73 BRD4 (0.60) SLC22A12TSHRSMN1; SMN2KDM4E
SCHEMBL7022539 0.73 AVPR1A (0.53) AVPR2AVPR1ANOTUMPDE4APDE4B
SCHEMBL10322860 0.72 SLC22A12 (0.59) SLC22A12PDE4APDE4BPDE4CPDE4D

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 AVPR2 1/4885AVPR1A 2/4885SLC22A12 1223/4885

“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.