SCHEMBL7999719

SCHEMBL7999719

CNC(Cc1cccc(N)c1)C(C)=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 4/20 0.45
SLC7A5 Q01650 3/20 0.43
ALDH1A1 P00352 2/20 0.42
DDX3X O00571 1/20 0.41
NAMPT P43490 1/20 0.40
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
GRIA2 P42262 1/20 0.39
POLB P06746 1/20 0.39
CYP19A1 P11511 1/20 0.39
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 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
SCHEMBL3770263 0.88 SLC7A5 (0.47) ADRB2SLC7A5MAOAMAOBGRIA2
SCHEMBL3770259 0.88 SLC7A5 (0.47) ADRB2SLC7A5MAOAMAOBGRIA2
SCHEMBL10442378 0.84 LOXL2 (0.46) SLC7A5ALDH1A1GRIA2NOS3NOS1
SCHEMBL13699436 0.83 GRIA2 (0.50) SLC7A5ALDH1A1GRIA2NOS2
SCHEMBL15179166 0.83 CTSB (0.48) ALDH1A1MAOBPOLB
SCHEMBL24711924 0.81 SLC1A1 (0.49) ALDH1A1MAOB
SCHEMBL12668877 0.81 SLC1A1 (0.49) ALDH1A1MAOB
SCHEMBL14898396 0.81 PNMT (0.51) ALDH1A1
SCHEMBL16574567 0.81 CTSB (0.48) SLC7A5ALDH1A1POLB
SCHEMBL14942915 0.81 PNMT (0.51) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809278-B2 Cyclic tetrapeptides UNIVERSITY OF KANSAS (US) 2014-08-19 US disclosed
US-8809278-B2 Cyclic tetrapeptides UNIVERSITY OF KANSAS (US) 2014-08-19 US disclosed
US-20110190212-A1 CYCLIC TETRAPEPTIDES UNIVERSITY OF KANSAS (US) 2011-08-04 US disclosed
US-20110190212-A1 CYCLIC TETRAPEPTIDES UNIVERSITY OF KANSAS (US) 2011-08-04 US disclosed
WO-2010006267-A2 CYCLIC TETRAPEPTIDES UNIVERSITY OF KANSAS (US) 2010-01-14 WO 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-20110190212-A1 CYCLIC TETRAPEPTIDES OPRK1, OPRL1, OPRD1 ADRB2 2103/4885SLC7A5 625/4885ALDH1A1 4554/4885

“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.