SCHEMBL6001541

SCHEMBL6001541

CO[C@@H]1C[C@@H](C(=O)N(C)C)N(C(=O)NC(C(=O)N2CCCCc3ccccc32)c2ccccc2C)C1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 16/20 0.61
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
AVPR1A P37288 2/20 0.36
OXTR P30559 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
SCHEMBL5228829 0.90 AVPR2 (0.60) AVPR2LMNAAVPR1AOXTR
SCHEMBL4932308 0.76 AVPR2 (0.78) AVPR2
SCHEMBL4195589 0.76 AVPR2 (1.00) AVPR2
SCHEMBL4204579 0.73 AVPR2 (0.70) AVPR2
SCHEMBL4198269 0.72 AVPR2 (0.85) AVPR2OXTR
SCHEMBL4206215 0.67 AVPR2 (1.00) AVPR2
SCHEMBL4195593 0.67 AVPR2 (1.00) AVPR2
SCHEMBL4868227 0.64 POLB (0.60) AVPR2LMNAAVPR1A
SCHEMBL9530206 0.62 NOTUM (0.62) AVPR2MEN1ALDH1A1KMT2AAVPR1A
SCHEMBL14089573 0.61 MEN1 (0.62) AVPR2MEN1KMT2ALMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060154916-A1 Condensed azepines as vasopressin agonists FERRING BV 2006-07-13 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-20060154916-A1 Condensed azepines as vasopressin agonists AVPR2, AVPR1A, AVPR1B AVPR2 1/4885MEN1 369/4885ALDH1A1 3007/4885

“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.