SCHEMBL856060

SCHEMBL856060

CCOC(=O)CCCN1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.56
MAPK1 P28482 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HRH3 Q9Y5N1 3/20 0.47
KCNH2 Q12809 1/20 0.47
L3MBTL1 Q9Y468 4/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 4/20 0.46
POLB P06746 2/20 0.46
MAPT P10636 1/20 0.46
LMNA P02545 2/20 0.43
TSHR P16473 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL1863035 1.00 CYP1A2 (0.56) CYP1A2MAPK1SMN1; SMN2HRH3KCNH2
Bromide SCHEMBL741360 0.98 CYP1A2 (0.55) CYP1A2MAPK1SMN1; SMN2HRH3KCNH2
SCHEMBL1855324 0.98 CYP1A2 (0.53) CYP1A2MAPK1SMN1; SMN2HRH3KCNH2
SCHEMBL7418522 0.95 CYP1A2 (0.50) CYP1A2MAPK1SMN1; SMN2HRH3KCNH2
SCHEMBL10084759 0.95 CYP1A2 (0.50) CYP1A2MAPK1SMN1; SMN2HRH3KCNH2
SCHEMBL24001256 0.93 ALDH1A1 (0.50) CYP1A2MAPK1SMN1; SMN2HRH3KCNH2
Hydrochloric Acid SCHEMBL7418518 0.93 ALDH1A1 (0.50) CYP1A2MAPK1SMN1; SMN2HRH3KCNH2
SCHEMBL24001095 0.93 ALDH1A1 (0.50) CYP1A2MAPK1SMN1; SMN2HRH3KCNH2
SCHEMBL24757426 0.93 CYP1A2 (0.48) CYP1A2MAPK1SMN1; SMN2HRH3KCNH2
SCHEMBL27065452 0.91 ALDH1A1 (0.48) CYP1A2MAPK1SMN1; SMN2HRH3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103534236-B Method for producing granules 住友化学株式会社 2016-08-17 CN disclosed
EP-1951663-B1 (R)-ARYLKYLAMINO DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPÉ FARMACEUTICI S P A (IT) 2016-07-20 EP disclosed
CN-103974929-A Method for producing hydrohalic acid salt of halogenated alkyl amine SUMITOMO CHEMICAL CO 2014-08-06 CN disclosed
US-20140107100-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-04-17 US disclosed
US-8697737-B2 Raf modulators and methods of use EXELIXIS, INC. (US) 2014-04-15 US disclosed
US-20140080810-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-03-20 US disclosed
US-8648066-B2 Benzoxazepines as inhibitors of PI3K/mTOR and methods of their use and manufacture EXELIXIS, INC. (US) 2014-02-11 US disclosed
CN-103534236-A Method for producing granules SUMITOMO CHEMICAL CO 2014-01-22 CN disclosed
CN-103459384-A Benzoxazepines as inhibitors of PI3K/mTOR and methods of their use and manufacture EXELIXIS INC 2013-12-18 CN disclosed
EP-2640366-A2 BENZOXAZEPINES AS INHIBITORS OF PI3K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE Exelixis, Inc. (US) 2013-09-25 EP disclosed
WO-2007060215-A2 (R)-ARYLKYLAMINO DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE' PHA.R.MA S.P.A. (IT) 2007-05-31 WO disclosed
EP-1751124-A2 RAF MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2007-02-14 EP disclosed
WO-2005112932-A2 RAF MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-12-01 WO disclosed
CN-1292789-A 6,9-disubstituted 2-[trans-(4-aminocyclohexyl) amino] purines AWANDIS PHARMACEUTICAL CORP (US) 2001-04-25 CN disclosed
US-5580885-A FOR TREATMENT OF GASTROINTESTINAL, CARDIOVASCULAR OR NERVOUS SYSTEM DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 1996-12-03 US disclosed
EP-0609278-A1 IMIDAZOPYRIDINES AND INDOLIZINES AS 5-HT 4 ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-08-10 EP disclosed
EP-0604494-A1 5-HT 4? RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-07-06 EP disclosed
WO-1993008187-A1 IMIDAZOPYRIDINES AND INDOLIZINES AS 5-HT4 ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1993-04-29 WO disclosed
WO-1993005038-A1 5-HT4 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1993-03-18 WO disclosed
US-5102890-A Anxiolytic agents RHONE-POULENC SANTE (FR) 1992-04-07 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 (2 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-20140107100-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA CYP1A2 878/4885MAPK1 134/4885SMN1; SMN2 3818/4885
US-20140080810-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA CYP1A2 1244/4885MAPK1 105/4885SMN1; SMN2 3798/4885

“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.