SCHEMBL16805952

SCHEMBL16805952

CC(C)CC(N)c1cccc(NCCC(=O)O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ POLB P06746 2/20 0.40
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ MTOR P42345 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ANPEP P15144 1/20 0.38
▸ ENPEP Q07075 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
SCHEMBL16805958 0.86 FABP4 (0.40) ALDH1A1MEN1KMT2AHSD17B10CA12
SCHEMBL15245062 0.86 ALDH1A1 (0.42) S1PR1ALDH1A1MEN1KMT2AMAPT
SCHEMBL11087107 0.77 ITGB3 (0.40) ALDH1A1MEN1KMT2ACA12CA1
SCHEMBL16805948 0.73 CYSLTR2 (0.50) ALDH1A1KMT2ASMN1; SMN2LMNAKDM4E
SCHEMBL16809244 0.72 CA12 (0.41) ALDH1A1MEN1KMT2ASMN1; SMN2POLB
SCHEMBL11441112 0.72 DDX3X (0.53) ALDH1A1MEN1KMT2AMAPTTSHR
SCHEMBL3199664 0.72 MAPT (0.67) ALDH1A1MEN1KMT2AMAPTTSHR
SCHEMBL3210538 0.70 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AMAPTTSHR
SCHEMBL3121096 0.70 MEN1 (0.56) ALDH1A1MEN1KMT2AMAPTTSHR
SCHEMBL16805947 0.70 LMNA (0.54) ALDH1A1MEN1KMT2AMAPTTSHR

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-9481684-B2 Gonadotropin releasing hormone receptor antagonists, method for the preparation thereof and pharmaceutical composition comprising the same SK CHEMICALS CO., LTD. (KR) 2016-11-01 — — US disclosed
US-20150166558-A1 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME SK CHEMICALS CO., LTD. (KR) 2015-06-18 — — 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-20150166558-A1 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME GNRHR, FSHR, GHRHR S1PR1 767/4885ALDH1A1 4385/4885MEN1 52/4885

“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.

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