SCHEMBL436889

SCHEMBL436889

[CH2-][NH2+]CCc1ccc(C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
CYP2A6 P11509 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
IDO1 P14902 1/20 0.42
KCNH2 Q12809 2/20 0.41
HRH3 Q9Y5N1 1/20 0.41
IGF1R P08069 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
ACHE P22303 1/20 0.38
AGXT P21549 2/20 0.38
CHKA P35790 1/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
HRH1 P35367 1/20 0.36
FFAR1 O14842 1/20 0.36
DAO P14920 1/20 0.35

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
SCHEMBL438012 0.76 ESR1 (0.59) TAAR1IGF1RALOX15TDP1ACHE
SCHEMBL13325576 0.76 TAAR1 (0.50) TAAR1IDO1AGXTL3MBTL1
SCHEMBL13325522 0.76 TAAR1 (0.50) CYP2A6TAAR1IDO1IGF1RALOX15
SCHEMBL143961 0.76 CYP1A2 (0.68) CYP1A2CYP2A6TAAR1IDO1KCNH2
SCHEMBL11288839 0.76 CYP1A2 (0.68) CYP1A2CYP2A6TAAR1IDO1KCNH2
SCHEMBL435874 0.75 ALDH1A1 (0.48) CYP1A2CYP2A6TAAR1IDO1ALOX15
SCHEMBL438008 0.75 IDO1 (0.46) CYP1A2CYP2A6TAAR1IDO1KCNH2
SCHEMBL436887 0.74 TAAR1 (0.57) TAAR1IDO1HRH3ACHEDAO
SCHEMBL10452106 0.74 CYP1A2 (0.59) CYP1A2CYP2A6TAAR1IDO1KCNH2
SCHEMBL13325559 0.73 NQO1 (0.54) MAPTTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2387735-B1 NONPOLYMERIC BINDERS FOR SEMICONDUCTOR SUBSTRATE COATINGS FUJIFILM ELECTRONIC MAT USA INC (US) 2019-03-13 EP disclosed
US-20150073136-A1 PYRAZINONE DERIVATIVES ASTRAZENECA AB (SE) 2015-03-12 US disclosed
US-8889692-B2 Pyrazinone derivatives, pharmaceutically acceptance salts thereof and their uses ASTRAZENECA AB (SE) 2014-11-18 US disclosed
US-20130012523-A1 PYRAZINONE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AND THEIR USES BROUGH STEPHEN (GB) 2013-01-10 US disclosed
US-20120214822-A1 N-CYCLOPROPYL-3-FLUORO-5-[3-[[1-[2-[2- [(2-HYDROXETHYL)AMINO] ETHOXY]PHENYL] CYCLOPROPYL] AMINO]-2-OXO- 1 (2H)-PYRAZINYL]-4-METHYL-BENZAMIDE, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AND THEIR USES ASTRAZENECA AB (SE) 2012-08-23 US disclosed
US-8163905-B2 Compounds and their uses 708 ASTRAZENECA AB (SE) 2012-04-24 US disclosed
US-20120065214-A1 COMPOUNDS AND THEIR USES 708 ASTRAZENECA AB (SE) 2012-03-15 US disclosed
US-7713961-B2 Substituted 1,2-ethylenediamines, methods for preparing them and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-11 US disclosed
US-7547731-B2 Formamide derivatives for the treatment of diseases PFIZER INC (US) 2009-06-16 US disclosed
US-20080207689-A1 Formamide Derivatives For The Treatment of Diseases PFIZER INC 2008-08-28 US disclosed
US-7241810-B2 Formamide derivatives for the treatment of diseases PFIZER INC (US) 2007-07-10 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 (5 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-20080207689-A1 Formamide Derivatives For The Treatment of Diseases FH, FAH, HRH4 CYP1A2 25/4885CYP2A6 310/4885TAAR1 2411/4885
US-20120065214-A1 COMPOUNDS AND THEIR USES 708 CYP3A7, CYP2C8, CYP2C18 CYP1A2 6/4885CYP2A6 72/4885TAAR1 1436/4885
US-20120214822-A1 N-CYCLOPROPYL-3-FLUORO-5-[3-[[1-[2-[2- [(2-HYDROXETHYL)AMINO] ETHOXY]PHENYL] CYCLOPROPYL] AMINO]-2-OXO- 1 (2H)-PYRAZINYL]-4-METHYL-BENZAMIDE, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AND THEIR USES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-0, CYP3A5 CYP1A2 12/4885CYP2A6 70/4885TAAR1 1508/4885
US-20150073136-A1 PYRAZINONE DERIVATIVES CYP3A7, CYP3A4, CYP2D6 CYP1A2 9/4885CYP2A6 115/4885TAAR1 1677/4885
US-20130012523-A1 PYRAZINONE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AND THEIR USES CYP3A7, CYP3A5, CYP2C19 CYP1A2 21/4885CYP2A6 80/4885TAAR1 2769/4885

“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.