SCHEMBL14010055

SCHEMBL14010055

CCC(=O)NNC(=O)C1CCN(C)CC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
KDM4E B2RXH2 3/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 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
SCHEMBL19828775 0.87 CYP2C19 (0.42) GAAKDM4EKMT2AMEN1CYP2C9
SCHEMBL14340622 0.84 ALDH1A1 (0.40) GAAALDH1A1
SCHEMBL6036515 0.82 SMN1; SMN2 (0.55) GAA
SCHEMBL9029829 0.79 MKNK1 (0.38) GAAKMT2AMEN1ALDH1A1MAPT
SCHEMBL14010048 0.77 MKNK1 (0.38) GAALMNAKMT2AMEN1ALDH1A1
SCHEMBL12719407 0.76 BCHE (0.49) GAAKMT2ACYP3A4
SCHEMBL25810430 0.75 ALDH1A1 (0.45) GAALMNAKMT2AALDH1A1MAPT
SCHEMBL13346513 0.74 GAA (0.68) GAAKDM4ELMNAKMT2AMEN1
SCHEMBL12021613 0.73 KDM4E (0.55) GAAKDM4ELMNAALDH1A1CYP3A4
SCHEMBL8351923 0.72 HTT (0.41) GAALMNAALDH1A1MAPTCYP1A2

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 GAA 4659/4885KDM4E 4040/4885LMNA 585/4885

“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.