SCHEMBL13995698

SCHEMBL13995698

CC(C)[C@H](C)CNCc1ccc(O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
POLB P06746 2/20 0.46
GAA P10253 2/20 0.46
MAPT P10636 2/20 0.46
HPGD P15428 2/20 0.46
ALOX15 P16050 2/20 0.46
MAPK1 P28482 2/20 0.46
CASP1 P29466 2/20 0.46
BLM P54132 2/20 0.46
HSD17B10 Q99714 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
APAF1 O14727 1/20 0.46
USP2 O75604 1/20 0.46
ALOX12 P18054 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
OPRK1 P41145 4/20 0.44
OPRD1 P41143 3/20 0.44

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
SCHEMBL11706790 0.84 ALDH1A1 (0.48) ALDH1A1MEN1KMT2APOLBGAA
SCHEMBL13057587 0.82 ALDH1A1 (0.64) ALDH1A1MEN1KMT2APOLBGAA
SCHEMBL172626 0.82 CHRM2 (0.50) ALDH1A1MEN1KMT2APOLBGAA
SCHEMBL13995742 0.81 L3MBTL1 (0.53) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL21799467 0.81 ANPEP (0.51) ALDH1A1CYP1A2CYP2D6
SCHEMBL13995701 0.81 LMNA (0.60) ALDH1A1MEN1KMT2AHPGDMAPK1
SCHEMBL28854203 0.81 TAAR1 (0.57) ALDH1A1MEN1KMT2APOLBGAA
SCHEMBL13995600 0.80 MEN1 (0.52) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL13995906 0.80 MEN1 (0.52) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL13995699 0.79 SLC2A4 (0.53) MEN1KMT2AMAPTALOX15MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7462625-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2008-12-09 US disclosed
US-20070208049-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-09-06 US disclosed
US-7179815-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-02-20 US disclosed
US-7179815-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-02-20 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-20070208049-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR ALDH1A1 3443/4885MEN1 510/4885KMT2A 1311/4885

“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.