SCHEMBL954860

SCHEMBL954860

CCC(Br)c1cccc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.42
OPRM1 P35372 2/20 0.40
OPRD1 P41143 2/20 0.40
OPRK1 P41145 2/20 0.40
OPRL1 P41146 2/20 0.40
PNMT P11086 1/20 0.40
ACP3 P15309 1/20 0.40
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
RECQL P46063 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SLC6A2 P23975 4/20 0.38
SLC6A4 P31645 4/20 0.38
SLC6A3 Q01959 1/20 0.37

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
SCHEMBL11451576 0.85 HKDC1 (0.39) OPRM1LMNASLC6A2SLC6A3
SCHEMBL6527714 0.82 OPRM1 (0.48) AOC3OPRM1OPRD1OPRK1OPRL1
SCHEMBL7786059 0.82 ACP3 (0.44) AOC3PNMTACP3LMNATSHR
SCHEMBL7102888 0.82 ACP3 (0.41) AOC3PNMTACP3LMNATSHR
SCHEMBL8130729 0.82 ACP3 (0.44) AOC3PNMTACP3LMNATSHR
SCHEMBL8779761 0.82 ACP3 (0.44) AOC3PNMTACP3LMNATSHR
SCHEMBL10606192 0.80 ACP3 (0.43) AOC3OPRM1OPRD1OPRK1OPRL1
SCHEMBL16771227 0.79 ACP3 (0.46) AOC3OPRM1OPRD1OPRK1OPRL1
SCHEMBL12735693 0.79 AOC3 (0.45) AOC3OPRM1OPRD1OPRK1OPRL1
SCHEMBL5724818 0.79 TSHR (0.38) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2617706-B1 NOVEL INTERMEDIATE USED FOR PREPARING TAPENTADOL OR ANALOGUES THEREOF ANHUI NEW STAR PHARMACEUTICAL DEV CO LTD (CN) 2017-09-06 EP disclosed
US-9682918-B2 intermediate used for preparing tapentadol or analogues thereof ANHUI NEW STAR PHARMACEUTICAL DEVLOPMENT CO., LTD. (CN) 2017-06-20 US disclosed
US-9556107-B2 Intermediate used for preparing tapentadol or analogues thereof ANHUI NEW STAR PHARMACEUTICAL DEVELOPMENT CO., LTD. (CN) 2017-01-31 US disclosed
US-20160052873-A1 Novel Intermediate Used for Preparing Tapentadol or Analogues Thereof ANHUI NEW STAR PHARMACEUTICAL DEVELOPMENT CO., LTD. (CN) 2016-02-25 US disclosed
US-20160052866-A1 Novel Intermediate Used for Preparing Tapentadol or Analogues Thereof ANHUI NEW STAR PHARMACEUTICAL DEVELOPMENT CO., LTD. (CN) 2016-02-25 US disclosed
US-8853393-B2 Intermediate for preparing tapentadol or analogues thereof ANHUI NEW STAR PHARMACEUTICAL DEVELOPMENT CO., LTD. (CN) 2014-10-07 US disclosed
US-20130231478-A1 Novel Intermediate for Preparing Tapentadol or Analogues Thereof ANHUI NEW STAR PHARMACEUTICAL DEVELOPMENT CO., LTD. (CN) 2013-09-05 US disclosed
EP-2617706-A1 NOVEL INTERMEDIATE USED FOR PREPARING TAPENTADOL OR ANALOGUES THEREOF Anhui New Star Pharmaceutical Development Co., Ltd (CN) 2013-07-24 EP disclosed
US-7875645-B2 2-(2-cyclopropyl-benzyl)-4,5-dihydro-1H-imidazole; depression, anxiety disorders, bipolar disorder, attention deficit hyperactivity disorder, stress-related disorders, psychotic disorders such as schizophrenia, neurological diseases such as Parkinson's disease, neurodegenerative disorders HOFFMAN-LA ROCHE INC. (US) 2011-01-25 US disclosed
EP-1501804-B1 ISOQUINOLINE DERIVATIVES MAO-B INHIBITORS HOFFMANN LA ROCHE (CH) 2009-08-26 EP disclosed
US-5232916-A Inhibitors of leukotriene synthesis MERCK FROSST CANADA, INC. (CA) 1993-08-03 US disclosed
US-5102881-A Leukotriene biosynthesis inhibitor MERCK FROSST CANADA, INC. (CA) 1992-04-07 US disclosed
US-4626549-A Treatment of obesity with aryloxyphenylpropylamines ELI LILLY AND COMPANY (US) 1986-12-02 US disclosed
US-4313896-A ANTIDEPRESSANTS, PSYCHOTROPIC AGENTS ELI LILLY AND COMPANY (US) 1982-02-02 US disclosed
US-4314081-A ANTIDEPRESSANTS ELI LILLY AND COMPANY (US) 1982-02-02 US disclosed
EP-0004447-B1 PREPARATION OF TRIFLUOROMETHYLPHENOLS AND NOVEL TRIFLUOROMETHYLPHENYL BENZYL ETHER INTERMEDIATES ELI LILLY AND COMPANY (US) 1981-12-02 EP disclosed
US-4210610-A CHLOROARYLHYDROXY SUBSTITUTED ACETYLENES GULF RESEARCH AND DEVELOPMENT COMPANY (US) 1980-07-01 US disclosed
US-4194009-A ANTIDEPRESSANT ELI LILLY AND COMPANY (US) 1980-03-18 US disclosed
US-4168388-A Trifluoromethylphenyl benzyl ethers ELI LILLY AND COMPANY (US) 1979-09-18 US disclosed
US-4018895-A Aryloxyphenylpropylamines in treating depression ELI LILLY AND COMPANY (US) 1977-04-19 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-20160052873-A1 Novel Intermediate Used for Preparing Tapentadol or Analogues Thereof CYP1A2, CYP7A1, ACHE AOC3 1274/4885OPRM1 42/4885OPRD1 4/4885
US-20130231478-A1 Novel Intermediate for Preparing Tapentadol or Analogues Thereof CYP1A2, CYP7A1, CYP3A5 AOC3 1287/4885OPRM1 44/4885OPRD1 4/4885
US-20160052866-A1 Novel Intermediate Used for Preparing Tapentadol or Analogues Thereof CYP1A2, CYP7A1, ACHE AOC3 1274/4885OPRM1 42/4885OPRD1 4/4885

“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.