SCHEMBL2662565

SCHEMBL2662565

[C-]#[N+]c1ccccc1CC(C)C

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.47
GABRB2 P47870 2/20 0.47
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
SLC6A2 P23975 2/20 0.30
TAAR1 Q96RJ0 2/20 0.30
MAOA P21397 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
CYP2A6 P11509 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 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
SCHEMBL29922500 0.79 TDP1 (0.32)
SCHEMBL840750 0.77 GABRA1 (0.64) GABRA1GABRB2LMNASLC6A2TAAR1
SCHEMBL2616314 0.76 MGLL (0.42) GABRA1GABRB2TSHR
SCHEMBL5174943 0.74 GABRA1 (0.61) GABRA1GABRB2LMNASLC6A2TAAR1
SCHEMBL5174936 0.74 GABRA1 (0.61) GABRA1GABRB2LMNASLC6A2TAAR1
SCHEMBL12102475 0.73 MAPT (0.36) GABRA1GABRB2TSHR
Hydrogen Peroxide SCHEMBL5685702 0.72 GABRA1 (0.65) GABRA1GABRB2LMNASLC6A2TAAR1
SCHEMBL8254520 0.72 HDAC8 (0.45) MEN1KMT2ALMNA
SCHEMBL368025 0.71
SCHEMBL10032963 0.71 PNMT (0.44) SLC6A2TAAR1SLC6A4SLC6A3CYP2A6

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 14 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
US-9034850-B2 Gonadotropin releasing hormone receptor antagonist, preparation method thereof and pharmaceutical composition comprising the same SK CHEMICALS CO., LTD. (KR) 2015-05-19 US disclosed
US-8541455-B2 Derivatives of 2-pyridin-2-yl-pyrazol-3(2H)-one, preparation and therapeutic use thereof as HIF activators SANOFI (FR) 2013-09-24 US disclosed
US-20130137661-A1 Gonadotropin Releasing Hormone Receptor Antagonist, Preparation Method Thereof And Pharmaceutical Composition Comprising The Same SK CHEMICALS CO. LTD. (KR) 2013-05-30 US disclosed
US-20110294788-A1 DERIVATIVES OF 2-PYRIDIN-2-YL-PYRAZOL-3(2H)-ONE, PREPARATION AND THERAPEUTIC USE THEREOF AS HIF ACTIVATORS SANOFI (FR) 2011-12-01 US disclosed
US-7897601-B2 Cannabinoid receptor modulators INTERVET, INC. (US) 2011-03-01 US disclosed
US-7601728-B2 Bicyclic pyrrole derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-10-13 US disclosed
US-7598398-B2 Acyl indoles, compositions containing such compounds and methods of use MERCK & CO., INC. (US) 2009-10-06 US disclosed
US-20090192129-A1 BICYCLIC PYRROLE DERIVATIVES DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-07-30 US disclosed
US-20090149483-A1 BICYCLIC PYRROLE DERIVATIVES DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-06-11 US disclosed
US-20080318922-A1 Bicyclic Pyrrole Derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-12-25 US disclosed
US-20070197628-A1 Cannabinoid receptor modulators INTERVET INTERNATIONAL B.V. (NL) 2007-08-23 US disclosed
US-20070088071-A1 Acyl indoles, compositions containing such compounds and methods of use MERCK SHARP & DOHME LLC 2007-04-19 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 (8 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-20130137661-A1 Gonadotropin Releasing Hormone Receptor Antagonist, Preparation Method Thereof And Pharmaceutical Composition Comprising The Same GNRHR, GHRHR, LHCGR GABRA1 285/4885GABRB2 262/4885MEN1 771/4885
US-20080318922-A1 Bicyclic Pyrrole Derivatives DPP4, DPP7, DPP3 GABRA1 2094/4885GABRB2 1541/4885MEN1 3498/4885
US-20090192129-A1 BICYCLIC PYRROLE DERIVATIVES DPP4, DPP7, DPP3 GABRA1 1735/4885GABRB2 1420/4885MEN1 3830/4885
US-20070197628-A1 Cannabinoid receptor modulators CNR1, CNR2, GPR18 GABRA1 86/4885GABRB2 347/4885MEN1 4042/4885
US-20090149483-A1 BICYCLIC PYRROLE DERIVATIVES DPP4, DPP7, DPP3 GABRA1 1735/4885GABRB2 1420/4885MEN1 3830/4885
US-20150166558-A1 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME GNRHR, FSHR, GHRHR GABRA1 286/4885GABRB2 467/4885MEN1 52/4885
US-20070088071-A1 Acyl indoles, compositions containing such compounds and methods of use GPR119, IAPP, GLP1R GABRA1 1073/4885GABRB2 432/4885MEN1 2801/4885
US-20110294788-A1 DERIVATIVES OF 2-PYRIDIN-2-YL-PYRAZOL-3(2H)-ONE, PREPARATION AND THERAPEUTIC USE THEREOF AS HIF ACTIVATORS HIF1AN, HIF1A, EGLN2 GABRA1 2161/4885GABRB2 1219/4885MEN1 3807/4885

“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.