SCHEMBL1848481

SCHEMBL1848481

OCC(NCc1ccccc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.61
ADRB2 P07550 1/20 0.55
ACP3 P15309 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.49
ATM Q13315 1/20 0.49
MAN2A1 Q16706 3/20 0.47
MAN1B1 Q9UKM7 3/20 0.47
EPHX2 P34913 2/20 0.46
MAPT P10636 2/20 0.46
SIGMAR1 Q99720 1/20 0.46
MAN2B1 O00754 2/20 0.45
ALOX12 P18054 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
THRB P10828 1/20 0.45
IDO1 P14902 1/20 0.45
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL4853220 1.00 SMN1; SMN2 (0.61) SMN1; SMN2ADRB2ACP3L3MBTL1ATM
SCHEMBL424037 1.00 SMN1; SMN2 (0.61) SMN1; SMN2ADRB2ACP3L3MBTL1ATM
SCHEMBL6472595 0.89 ADRB2 (0.50) SMN1; SMN2ADRB2ACP3L3MBTL1ATM
SCHEMBL6514671 0.88 ATM (0.66) SMN1; SMN2ADRB2ACP3L3MBTL1ATM
Hydrochloric Acid SCHEMBL6473470 0.88 ADRB2 (0.52) SMN1; SMN2ADRB2ACP3L3MBTL1ATM
SCHEMBL323957 0.88 ADRB2 (0.56) SMN1; SMN2ADRB2ACP3L3MBTL1ATM
SCHEMBL2602792 0.85 SMN1; SMN2 (0.57) SMN1; SMN2ADRB2ACP3L3MBTL1ATM
SCHEMBL22445577 0.84 TDP1 (0.58) ADRB2L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL12493466 0.84 TDP1 (0.58) ADRB2L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL323594 0.82 BCHE (0.55) ATMEPHX2MAPTMEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160083391-A1 TRICYCLIC PIPERAZINE DERIVATIVE SUNOVION PHARMACEUTICALS INC (US) 2016-03-24 US disclosed
CN-102186812-A Methods for preparing fluoroalkyl arylsulfinyl compounds and fluorinated compounds thereto UBE INDUSTRIES 2011-09-14 CN disclosed
US-20110190511-A1 Methods For Preparing Fluoroalkyl Arylsulfinyl Compounds And Fluorinated Compounds Thereto IM&T RESEARCH, INC. (US) 2011-08-04 US disclosed
EP-2323974-A1 METHODS FOR PREPARING FLUOROALKYL ARYLSULFINYL COMPOUNDS AND FLUORINATED COMPOUNDS THERETO Ube Industries, Ltd. (JP) 2011-05-25 EP disclosed
US-20100152463-A1 Methods for Preparing Fluoroalkyl Arylsulfinyl Compounds and Fluorinated Compounds Thereto IM&T RESEARCH, INC. (US) 2010-06-17 US disclosed
WO-2010022001-A1 METHODS FOR PREPARING FLUOROALKYL ARYLSULFINYL COMPOUNDS AND FLUORINATED COMPOUNDS THERETO IM&T RESEARCH, INC. (US) 2010-02-25 WO disclosed
EP-1675851-B1 METHOD FOR PRODUCING N-SUBSTITUTED 3BETA-AMINONORTROPANES BOEHRINGER INGELHEIM INT (DE) 2008-08-20 EP disclosed
US-7321042-B2 Process for preparing N-substituted 3-β-aminonortropanes BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-01-22 US disclosed
EP-1778662-A1 PHOTORACEMIZATION OF 2-TRIFLUOROMETHYL-2H-CHROMENE-3-CARBOXYLIC ACID DERIVATIVES Warner-Lambert Company LLC (US) 2007-05-02 EP disclosed
EP-1773802-A1 ENANTIOSELECTIVE METHOD FOR SEPARING SUBSTITUTED 2-TRIFLUOROMETHYL-2H-CHROMENE-3-CARBOXYLIC ACID DERIVATIVES Pharmacia & Upjohn Company LLC (US) 2007-04-18 EP disclosed
US-20060020023-A1 Racemization method PHARMACIA & UPJOHN COMPANY LLC 2006-01-26 US disclosed
US-20050096346-A1 Process for preparing N-substituted 3-beta-aminonortropanes BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-05-05 US disclosed
EP-0405537-B1 N-substituted cycloalkyl and polycycloalkyl alpha-substituted Trp-Phe- and phenethylamine derivatives WARNER LAMBERT CO (US) 2004-09-08 EP disclosed
US-5631281-A COMPOUNDS FOR TREATMENT OF ANXIETY WITH INDOLE AMIDES WARNER-LAMBERT COMPANY (US) 1997-05-20 US disclosed
US-5622983-A ANTIOBESITY AGENTS, ANTIPSYCHOTIC AGENTS, ANTIULCER AGENTS WARNER-LAMBERT COMPANY (US) 1997-04-22 US disclosed
US-5580896-A Treatment of pain and colorectal cancer with dipeptoids of α-substituted Trp-Phe derivatives WARNER-LAMBERT COMPANY (US) 1996-12-03 US disclosed
US-5278316-A Indoles WARNER-LAMBERT COMPANY (US) 1994-01-11 US disclosed
EP-0479910-A1 N-SUBSTITUTED CYCLOALKYL AND POLYCYCLOALKYL ALPHA-SUBSTITUTED Trp-Phe- AND PHENETHYLAMINE DERIVATIVES WARNER-LAMBERT COMPANY (US) 1992-04-15 EP disclosed
WO-1991000274-A1 N-SUBSTITUTED CYCLOALKYL AND POLYCYCLOALKYL ALPHA-SUBSTITUTED TRP-PHE- AND PHENETHYLAMINE DERIVATIVES WARNER-LAMBERT COMPANY (US) 1991-01-10 WO disclosed
EP-0405537-A1 N-substituted cycloalkyl and polycycloalkyl alpha-substituted Trp-Phe- and phenethylamine derivatives WARNER-LAMBERT COMPANY (US) 1991-01-02 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 (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-20050096346-A1 Process for preparing N-substituted 3-beta-aminonortropanes ADRB1, ADRB3, ADRB2 SMN1; SMN2 1720/4885ADRB2 3/4885ACP3 1191/4885
US-20100152463-A1 Methods for Preparing Fluoroalkyl Arylsulfinyl Compounds and Fluorinated Compounds Thereto PFAS, AGPS, FDPS SMN1; SMN2 4340/4885ADRB2 3691/4885ACP3 3530/4885
US-20110190511-A1 Methods For Preparing Fluoroalkyl Arylsulfinyl Compounds And Fluorinated Compounds Thereto PFAS, AGPS, FDPS SMN1; SMN2 2161/4885ADRB2 1920/4885ACP3 3657/4885
US-20160083391-A1 TRICYCLIC PIPERAZINE DERIVATIVE PDE3A, PDE5A, PDE2A SMN1; SMN2 3083/4885ADRB2 574/4885ACP3 69/4885
US-20060020023-A1 Racemization method STS, SQLE, HAO2 SMN1; SMN2 1179/4885ADRB2 143/4885ACP3 1828/4885

“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.