SCHEMBL1678748

SCHEMBL1678748

[CH2]N(CC(C)C)CC(C)C

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA9 Q16790 3/20 0.35
CYP1A2 P05177 1/20 0.35
MAPK1 P28482 1/20 0.35
PIK3CD O00329 1/20 0.32

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
SCHEMBL2974694 0.83
SCHEMBL2973923 0.78
SCHEMBL2966564 0.74 PLA2G1B (0.30)
SCHEMBL2802966 0.74
SCHEMBL4275605 0.72
SCHEMBL17006249 0.72 TSHR (0.39)
SCHEMBL4113357 0.72 ALDH1A1 (0.40)
SCHEMBL4275335 0.67
SCHEMBL4122364 0.67 LMNA (0.41)
SCHEMBL65000 0.67 CYP1A2 (0.53) CA12CA1CA2CA9CYP1A2

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 104 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102464599-A Amido methyl xanthogenic acid cyanoethyl ester compound, preparation method and collecting agent thereof NORTHWEAT RES INST OF MINING & METALLURG INST 2012-05-23 CN claimed
US-20060100213-A1 Triazoles and methods of use AMGEN INC. (US) 2006-05-11 US claimed
CN-1511840-A Puerarin compound containing water soluble group and its preparation and use 中国人民解放军军事医学科学院放射医 2004-07-14 CN claimed
US-5378690-A Treatment of angiotensin induced hypertension SANKYO COMPANY, LIMITED (JP) 1995-01-03 US claimed
EP-0274259-B1 New renin-inhibitory oligopeptides, their preparaton and their use SANKYO CO (JP) 1994-02-16 EP claimed
EP-0274259-A2 New renin-inhibitory oligopeptides, their preparaton and their use Sankyo Company Limited (JP) 1988-07-13 EP claimed
US-11735737-B2 Binder for electricity storage devices improving dispersibility of conductive assistant FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2023-08-22 US disclosed
EP-4023686-A1 BINDER FOR ELECTRICITY STORAGE DEVICES IMPROVING DISPERSIBILITY OF CONDUCTIVE ASSISTANT FUJIFILM Wako Pure Chemical Corporation (JP) 2022-07-06 EP disclosed
US-20220190343-A1 BINDER FOR ELECTRICITY STORAGE DEVICES IMPROVING DISPERSIBILITY OF CONDUCTIVE ASSISTANT FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2022-06-16 US disclosed
US-20220181633-A1 BINDER FOR ELECTRICITY STORAGE DEVICES FUJIFILM CORPORATION (JP) 2022-06-09 US disclosed
CN-113304887-B Amino xanthate sulfide ore collecting agent and preparation method and application thereof 北京矿冶研究总院 2022-05-31 CN disclosed
CN-114270572-A Binder for electricity storage device 富士胶片株式会社 2022-04-01 CN disclosed
CN-113711393-A Binder for electricity storage device for improving dispersibility of conductive auxiliary agent 富士胶片和光纯药株式会社 2021-11-26 CN disclosed
CN-1127506-A Method of alkylating triazine derivative NISSAN CHEMICAL IND LTD (JP) 1996-07-24 CN disclosed
EP-0711760-A1 METHOD OF ALKYLATING TRIAZINE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1996-05-15 EP disclosed
US-5378690-A Treatment of angiotensin induced hypertension SANKYO COMPANY, LIMITED (JP) 1995-01-03 US disclosed
EP-0274259-B1 New renin-inhibitory oligopeptides, their preparaton and their use SANKYO CO (JP) 1994-02-16 EP disclosed
US-5270322-A Imidazo[1,2-a]pyridines, pharmaceutical compositions containing these compounds and processes for preparing them DR. KARL THOMAE GMBH (DE) 1993-12-14 US disclosed
EP-0555825-A1 Imidazo(1,2-a)pyridines as angiotensin-II-antagonists Dr. Karl Thomae GmbH (DE) 1993-08-18 EP disclosed
EP-0274259-A2 New renin-inhibitory oligopeptides, their preparaton and their use Sankyo Company Limited (JP) 1988-07-13 EP 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-20060100213-A1 Triazoles and methods of use CYP3A5, CYP3A43, CYP2E1 CA12 4075/4885CA1 3405/4885CA2 2170/4885

“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.