SCHEMBL6078627

SCHEMBL6078627

CC(C)CCNCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
PNMT P11086 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ALOX15 P16050 1/20 0.47
PLA2G1B P04054 1/20 0.47
POLB P06746 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
TSHR P16473 2/20 0.46
KCNH2 Q12809 2/20 0.46
TMEM97 Q5BJF2 2/20 0.46
SIGMAR1 Q99720 5/20 0.44
PRMT5 O14744 1/20 0.44
WDR77 Q9BQA1 1/20 0.44
ROCK1 Q13464 1/20 0.43
SLC6A2 P23975 1/20 0.42

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
Hydrochloric Acid SCHEMBL6077979 0.98 CYP1A2 (0.56) CYP1A2CYP2D6CYP2C9CYP2C19PNMT
SCHEMBL13965846 0.87 CYP1A2 (0.41) CYP1A2CYP2D6CYP2C9CYP2C19PNMT
SCHEMBL11089154 0.83 CYP1A2 (0.66) CYP1A2CYP2D6CYP2C9CYP2C19PNMT
SCHEMBL1566716 0.82 POLB (0.56) CYP1A2CYP2D6CYP2C9CYP2C19PNMT
SCHEMBL13965850 0.82 IDO1 (0.47) CYP1A2CYP2D6CYP2C9CYP2C19L3MBTL1
SCHEMBL13995324 0.80 CHRM2 (0.58) MEN1KMT2AL3MBTL1KCNH2TMEM97
SCHEMBL18768914 0.80 CYP1A2 (0.58) CYP1A2CYP2D6CYP2C9CYP2C19PNMT
SCHEMBL8987672 0.79 L3MBTL1 (0.65) CYP1A2CYP2D6CYP2C9CYP2C19PNMT
SCHEMBL23583427 0.79 CYP1A2 (0.57) CYP1A2CYP2D6CYP2C9CYP2C19PNMT
SCHEMBL11932565 0.79 HRH4 (0.47) CYP1A2CYP2D6CYP2C9CYP2C19PNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3363288-B1 COMPOSITION FOR DESTRUCTION OF MICROALGAE OR MOSSES CUREARTH INC (KR) 2022-09-07 EP disclosed
CN-108347925-B Compositions for destroying microalgae or moss 株式会社CUREARTH 2021-07-16 CN disclosed
US-11044909-B2 Composition for destruction of microalgae or sphaerocarpus CUREARTH, INC. (KR) 2021-06-29 US disclosed
US-11044909-B2 Composition for destruction of microalgae or sphaerocarpus CUREARTH, INC. (KR) 2021-06-29 US disclosed
US-20180271091-A1 COMPOSITION FOR DESTRUCTION OF MICROALGAE OR SPHAEROCARPUS CUREARTH, INC. (KR) 2018-09-27 US disclosed
EP-3363288-A1 COMPOSITION FOR DESTRUCTION OF MICROALGAE OR SPHAEROCARPUS Curearth, Inc. (KR) 2018-08-22 EP disclosed
CN-108347925-A composition for destroying microalgae or moss 株式会社CUREARTH 2018-07-31 CN disclosed
WO-2017065401-A1 COMPOSITION FOR DESTRUCTION OF MICROALGAE OR SPHAEROCARPUS 주식회사 큐얼스 2017-04-20 WO disclosed
US-7462625-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2008-12-09 US disclosed
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-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-7109186-B2 4-hydroxy-5-oxo-1-(2-[4-methylpiperazin-1-yl]ethyl)-2,5-dihydro-1H-pyrrole-3-carboxylic acid (3,4-dichlorobenzyl)-methyl-amide for human immunodeficiency virus (HIV) treatment BRISTOL-MYERS SQUIBB COMPANY (US) 2006-09-19 US disclosed
US-20040110804-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-06-10 US disclosed
WO-2004004657-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-01-15 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 (4 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-20040110804-A1 HIV integrase inhibitors CDKN1A, SAMHD1, CTCF CYP1A2 483/4885CYP2D6 1226/4885CYP2C9 1555/4885
US-20180271091-A1 COMPOSITION FOR DESTRUCTION OF MICROALGAE OR SPHAEROCARPUS TK1, TRHDE, TK2 CYP1A2 4399/4885CYP2D6 4332/4885CYP2C9 4640/4885
US-11044909-B2 Composition for destruction of microalgae or sphaerocarpus TK1, TRHDE, TK2 CYP1A2 4399/4885CYP2D6 4332/4885CYP2C9 4640/4885
US-20070208049-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR CYP1A2 1189/4885CYP2D6 790/4885CYP2C9 1243/4885

“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.