SCHEMBL6739027

SCHEMBL6739027

CCCN(CCC)CCCl

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.62
MAPT P10636 3/20 0.42
TSHR P16473 4/20 0.40
TP53 P04637 1/20 0.40
HTT P42858 1/20 0.40
HBB P68871 1/20 0.40
HRH3 Q9Y5N1 2/20 0.39
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
NFKB1 P19838 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33
POLB P06746 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
BLM P54132 1/20 0.32
HTR1A P08908 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
SCHEMBL2615232 1.00 LMNA (0.62) LMNAMAPTTSHRTP53HTT
Hydrochloric Acid SCHEMBL2771613 0.97 LMNA (0.69) LMNAMAPTTSHRTP53HTT
Hydrochloric Acid SCHEMBL31671050 0.97 LMNA (0.69) LMNAMAPTTSHRTP53HTT
SCHEMBL16590602 0.88
SCHEMBL17524417 0.87 LMNA (0.48) LMNAMAPTTSHRTP53HTT
Methylene Chloride SCHEMBL6682460 0.86 LMNA (0.41) LMNAMAPTTSHRHRH3TDP1
SCHEMBL15800488 0.83 LMNA (0.43) LMNAMAPTHRH3MEN1KMT2A
Chloromethane SCHEMBL9628755 0.82 HRH3 (0.38) LMNATSHRHRH3TDP1CYP2D6
SCHEMBL2729745 0.82 HRH3 (0.41) TSHRHRH3ALDH1A1CYP2D6NFKB1
SCHEMBL5358 0.82 HRH3 (0.41) TSHRHRH3ALDH1A1CYP2D6NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4169197-A ANTIBIOTICS THE UPJOHN COMPANY (US) 1979-09-25 US claimed
US-20040127499-A1 Compounds, compositions and methods for preventing and treating pestivirus infection and associated diseases PEVEAR DANIEL C 2004-07-01 US disclosed
US-6642231-B2 Antineoplastic agents, treatment for neuronal injury and degeneration AVENTIS PHARMACEUTICALS INC. 2003-11-04 US disclosed
EP-1056744-B1 6,9-DISUBSTITUTED 2- TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES AVENTIS PHARMA INC (US) 2003-10-22 EP disclosed
US-20030176431-A1 Compounds, compositions and methods for preventing and treating pestivirus infection and associated diseases PEVEAR DANIEL C 2003-09-18 US disclosed
US-20030105098-A1 6,9-disubstituted 2-[trans-(4-aminocyclohexyl) amino] purines AVENTISUB II INC. 2003-06-05 US disclosed
EP-0921803-A4 METHODS FOR PREVENTING AND TREATING PESTIVIRUS INFECTION AND ASSOCIATED DISEASES VIROPHARMA INC (US) 2003-04-02 EP disclosed
US-6541472-B1 3-thio-5H-1,2,4-triazino(5,6-b) indole derivatives VIROPHARMA INCORPORATED 2003-04-01 US disclosed
US-6479487-B1 INHIBIT CYCLIN DEPENDENT KINASES, PARTICULARLY CDK-2; ANTIAPOPTOSIS AGENT; INHIBITS DEVELOPMENT OF NEOPLASMS AVENTIS PHARMACEUTICALS INC. 2002-11-12 US disclosed
EP-1056744-A1 6,9-DISUBSTITUTED 2- TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES Aventis Pharmaceuticals Inc. (US) 2000-12-06 EP disclosed
EP-0214852-A2 Perfluoroaminoethers MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1987-03-18 EP disclosed
US-4640930-A CALCIUM CHANNEL BLOCKERS HOFFMANN-LA ROCHE INC. (US) 1987-02-03 US disclosed
US-4626877-A RESIN LAYER CONTAINS A CATIONIC STARCH KANZAKI PAPER MANUFACTURING COMPANY, LIMITED (JP) 1986-12-02 US disclosed
EP-0179492-A2 Heat-sensitive recording material KANZAKI PAPER MANUFACTURING COMPANY LIMITED (JP) 1986-04-30 EP disclosed
EP-0040793-B1 NOVEL QUINAZOLINE-DIONE COMPOUNDS, PROCESS FOR PRODUCTION THEREOF AND PHARMACEUTICAL USE THEREOF Ishikawa, Masayuki (JP) 1985-08-28 EP disclosed
US-4405623-A HYPOTENSIVE AGENTS, VASODILATORS MASAYUKI ISHIKAWA (JP) 1983-09-20 US disclosed
EP-0040793-A1 Novel quinazoline-dione compounds, process for production thereof and pharmaceutical use thereof Ishikawa, Masayuki (JP) 1981-12-02 EP disclosed
US-4132709-A [2]Benzopyrano[4,3-c]pyridine derivatives and process therefor AYERST, MCKENNA & HARRISON, LTD. (CA) 1979-01-02 US disclosed
US-4004008-A ANTISPASMODIC, VASODILATION ROTTA RESEARCH LABORATORIUM S.P.A. (IT) 1977-01-18 US disclosed
US-4000275-A BENZIMIDAZO(2,1-B) QUINAZOLIN-12(6H)ONES ELI LILLY AND COMPANY (US) 1976-12-28 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 (3 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-20030105098-A1 6,9-disubstituted 2-[trans-(4-aminocyclohexyl) amino] purines CDK6, CDK5, CDK2 LMNA 2388/4885MAPT 2525/4885TSHR 4411/4885
US-20030176431-A1 Compounds, compositions and methods for preventing and treating pestivirus infection and associated diseases ZC3HAV1, MAVS, HAVCR2 LMNA 1813/4885MAPT 1994/4885TSHR 3786/4885
US-20040127499-A1 Compounds, compositions and methods for preventing and treating pestivirus infection and associated diseases ZC3HAV1, MAVS, HAVCR2 LMNA 1813/4885MAPT 1994/4885TSHR 3786/4885

“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.