SCHEMBL16633119

SCHEMBL16633119

CC(C)(C)N(C(=O)O)C(CN1CCCC1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.47
SLC6A2 P23975 2/20 0.47
UGCG Q16739 2/20 0.44
OPRK1 P41145 6/20 0.43
OPRM1 P35372 1/20 0.43
SLC6A3 Q01959 4/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
KDM2B Q8NHM5 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
EPHX2 P34913 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
SCHEMBL1935743 0.82 OPRK1 (0.56) OPRK1OPRM1CYP3A4CYP2D6TSHR
SCHEMBL16633980 0.82 ALDH1A1 (0.41) EPHX2
SCHEMBL16634078 0.81 EPHX1 (0.40) SLC6A4SLC6A2EPHX2
SCHEMBL16633204 0.80 MMP2 (0.40) SLC6A4SLC6A2OPRM1
SCHEMBL16633600 0.79 MMP2 (0.46) OPRK1OPRM1MEN1KMT2A
SCHEMBL16632995 0.79 EPHX1 (0.41) SLC6A4SLC6A2EPHX2
SCHEMBL16633172 0.78 ALDH1A1 (0.38) EPHX2
SCHEMBL16633428 0.78 ALDH1A1 (0.38) SLC6A4SLC6A2OPRM1CYP2C19EPHX2
SCHEMBL16633307 0.78 ALDH1A1 (0.38) OPRM1EPHX2
SCHEMBL16563309 0.74 UGCG (0.52) SLC6A4SLC6A2UGCGOPRK1OPRM1

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-9469637-B2 Nitrogenated heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-10-18 US disclosed
US-20150105373-A1 NITROGENATED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-04-16 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-20150105373-A1 NITROGENATED HETEROCYCLIC COMPOUND PDE2A, PDE5A, PDE3A SLC6A4 338/4885SLC6A2 38/4885UGCG 2291/4885

“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.