SCHEMBL3004615

SCHEMBL3004615

Cc1cccc(OCCCBr)c1NN(C(=O)OC(C)(C)C)c1c(C)cccc1OCCCBr

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
ACAT1 P24752 1/20 0.31
TDP1 Q9NUW8 2/20 0.31
LMNA P02545 2/20 0.31
MAPT P10636 2/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPK1 P28482 1/20 0.31
MC4R P32245 1/20 0.31
SCN4A P35499 1/20 0.31
MC3R P41968 1/20 0.31
HTR3A P46098 1/20 0.31
SCN5A Q14524 1/20 0.31
SCN9A Q15858 1/20 0.31
SCN3A Q9NY46 1/20 0.31
LCK P06239 1/20 0.31
HRH1 P35367 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GAA P10253 1/20 0.30

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
SCHEMBL2997971 0.78 LCK (0.44) MEN1KMT2AMAPK1SCN9ALCK
SCHEMBL28525138 0.65 RXRA (0.48) MEN1KMT2ATDP1LMNAMAPT
SCHEMBL26563553 0.63 PDK2 (0.49) MEN1KMT2ATDP1LMNAALDH1A1
SCHEMBL30674522 0.62 CYP2D6 (0.54) MEN1KMT2ATDP1LMNAMAPT
SCHEMBL1772227 0.62 CYP2D6 (0.54) MEN1KMT2ATDP1LMNAMAPT
SCHEMBL23939738 0.62 CA1 (0.49) MEN1KMT2ATDP1ALDH1A1SCN9A
SCHEMBL23971030 0.62 LMNA (0.48) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL30159042 0.62 LMNA (0.48) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL22941229 0.62 NLRP3 (0.49) LMNAMAPK1LCK
SCHEMBL11117174 0.61 TDP1 (0.42) MEN1KMT2ATDP1LMNAMAPT

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-8507536-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2013-08-13 US disclosed
US-20130040975-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2013-02-14 US disclosed
US-8263588-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2012-09-11 US disclosed
US-20100184741-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. 2010-07-22 US disclosed
WO-2008124614-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2008-10-16 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 (2 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-20130040975-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO GNRHR, GHRHR, LHCGR MEN1 592/4885KMT2A 1562/4885ACAT1 3601/4885
US-20100184741-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO GNRHR, GHRHR, LHCGR MEN1 592/4885KMT2A 1562/4885ACAT1 3601/4885

“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.