SCHEMBL14010048

SCHEMBL14010048

CNNC(=O)C1CCN(C)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.38
PKM P14618 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GSK3B P49841 4/20 0.36
GSK3A P49840 1/20 0.36
GAA P10253 1/20 0.36
CARM1 Q86X55 1/20 0.36
PRMT6 Q96LA8 1/20 0.36
DYRK1A Q13627 3/20 0.35
HTT P42858 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCNA1 P78396 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
ROCK2 O75116 1/20 0.35

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
SCHEMBL761339 0.83 ALDH1A1 (0.45) MKNK1PKMALDH1A1MEN1KMT2A
SCHEMBL12065915 0.82
SCHEMBL9029829 0.82 MKNK1 (0.38) MKNK1PKMALDH1A1MEN1KMT2A
SCHEMBL22078923 0.78 HDAC8 (0.54) MKNK1PKMALDH1A1MEN1KMT2A
SCHEMBL2446419 0.78
SCHEMBL6036515 0.77 SMN1; SMN2 (0.55) SMN1; SMN2GAACARM1PRMT6
SCHEMBL14010055 0.77 GAA (0.39) ALDH1A1MEN1KMT2AGAALMNA
SCHEMBL13045996 0.77 BCHE (0.43) PKMALDH1A1SMN1; SMN2GAAHTT
SCHEMBL25810430 0.77 ALDH1A1 (0.45) MKNK1ALDH1A1KMT2ASMN1; SMN2GAA
SCHEMBL4056944 0.77 MKNK1 (0.39) MKNK1PKMALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7449462-B2 Triazole derivatives which inhibit vasopressin antagonistic activity PFIZER, INC. (US) 2008-11-11 US disclosed
US-20070203132-A1 Triazole derivatives which inhibit vasopressin antagonistic activity PFIZER INC 2007-08-30 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-20070203132-A1 Triazole derivatives which inhibit vasopressin antagonistic activity AVPR2, PRLHR, AVPR1A MKNK1 1806/4885PKM 760/4885ALDH1A1 1958/4885

“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.