SCHEMBL338133

SCHEMBL338133

CCOC(=O)CCc1ccc2c(c1)CCO2

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.51
CYP4A11 Q02928 2/20 0.51
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.47
CLK1 P49759 1/20 0.47
CHRM5 P08912 7/20 0.47
CHRM1 P11229 7/20 0.47
CHRM4 P08173 3/20 0.47
CHRM3 P20309 3/20 0.47
CHRM2 P08172 2/20 0.46
POLB P06746 1/20 0.44
TP53 P04637 1/20 0.43
GLA P06280 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
CYP4Z1 Q86W10 1/20 0.42

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
SCHEMBL3226201 0.86 RAB9A (0.52) CYP4F2CYP4A11RAB9ANPC1CLK1
SCHEMBL10956809 0.85 NPC1 (0.55) CYP4F2CYP4A11RAB9ANPC1POLB
SCHEMBL1405119 0.82 RAB9A (0.50) RAB9ANPC1CHRM5CHRM1CHRM4
SCHEMBL27605521 0.82 RAB9A (0.51) RAB9ANPC1CHRM5CHRM1CHRM4
SCHEMBL3665814 0.81 KDM4E (0.39) CYP4F2CYP4A11RAB9ANPC1CLK1
SCHEMBL81136 0.80 FABP4 (0.58) RAB9ANPC1CHRM5CHRM1CHRM4
SCHEMBL846867 0.80 CTSB (0.58) CYP4F2CYP4A11
SCHEMBL25315569 0.80 CYP4F2 (0.47) CYP4F2CYP4A11RAB9ANPC1CLK1
SCHEMBL22590446 0.80 RIPK1 (0.48) CYP4F2CYP4A11RAB9ANPC1TP53
SCHEMBL3186208 0.80 CYP3A4 (0.58) CYP4F2CYP4A11RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010041271-A2 PROCESS FOR PREPARATION OF (S)-N-[2-(1,6,7,8-TETRAHYDRO-2H-INDENO[5,4-B]FURAN-8-YL)ETHYL] PROPIONAMIDE AND NOVEL INTERMEDIATES THEREOF USV LIMITED (IN) 2010-04-15 WO claimed
US-10098866-B2 Pharmaceutical preparation containing copolyvidone TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-10-16 US disclosed
US-20170020841-A1 PHARMACEUTICAL PREPARATION CONTAINING COPOLYVIDONE TAKEDA PHARMACEUTICALS CO (JP) 2017-01-26 US disclosed
EP-1792899-B1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE AMINE DERIVATIVES TAKEDA PHARMACEUTICAL (JP) 2014-07-09 EP disclosed
EP-1792899-B1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE AMINE DERIVATIVES TAKEDA PHARMACEUTICAL (JP) 2014-07-09 EP disclosed
US-20140066499-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE AMINE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-06 US disclosed
US-20140066499-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE AMINE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-06 US disclosed
US-20140066499-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE AMINE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-06 US disclosed
US-8609871-B2 Process for production of optically active amine derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-12-17 US disclosed
US-20130079397-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE AMINE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-03-28 US disclosed
US-20040018239-A1 Pharmaceutical preparation containing copolyvidone TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-01-29 US disclosed
EP-1100508-B1 PHARMACEUTICAL COMBINATION COMPRISING A TRICYCLIC COMPOUND AND AT LEAST ONE OF ZOLPIDEM, ZOPICLONE AND BROTIZOLAM FOR TREATING OR PREVENTING SLEEP DISORDERS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-08-27 EP disclosed
EP-1334732-A1 PHARMACEUTICAL PREPARATION CONTAINING COPOLYVIDONE Takeda Chemical Industries, Ltd. (JP) 2003-08-13 EP disclosed
EP-0885210-B1 Tricylic compounds having binding affinity for melatonin receptors, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-06-12 EP disclosed
EP-1199304-A1 Bicyclic compounds and pharmaceutical composition containing tricyclic compound for treating or preventing sleep disorders Takeda Chemical Industries, Ltd. (JP) 2002-04-24 EP disclosed
US-6348485-B1 ramelteon and one of zolpidem, zopiclone, brotizolam and triazolam TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-02-19 US disclosed
US-6218429-B1 TREATING MELATONIN RELATED DISORDERS (E.G. CIRCARDIAN RHYTHMS, SLEEP-AWAKE CYCLES, TIME ZONE CHANGES, SLEEP DISORDERS) TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-04-17 US disclosed
US-6034239-A BINDIG TO MELATONIN RECEPTORS; SLEEP DISORDERS; GLANDULAR DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-03-07 US disclosed
EP-0885210-A1 Tricylic compounds having binding affinity for melatonin receptors, their production and use Takeda Chemical Industries, Ltd. (JP) 1998-12-23 EP disclosed
WO-1997032871-A1 TRICYCLIC COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-09-12 WO 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-20170020841-A1 PHARMACEUTICAL PREPARATION CONTAINING COPOLYVIDONE PRCP, COPS6, COPS5 CYP4F2 2049/4885CYP4A11 324/4885RAB9A 563/4885
US-20040018239-A1 Pharmaceutical preparation containing copolyvidone PRCP, COPS6, COPS5 CYP4F2 2049/4885CYP4A11 324/4885RAB9A 563/4885
US-20140066499-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE AMINE DERIVATIVES INMT, TYR, PNMT CYP4F2 1755/4885CYP4A11 834/4885RAB9A 903/4885
US-10098866-B2 Pharmaceutical preparation containing copolyvidone PRCP, COPS6, COPS5 CYP4F2 2049/4885CYP4A11 324/4885RAB9A 563/4885
US-20130079397-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE AMINE DERIVATIVES INMT, TYR, PNMT CYP4F2 1755/4885CYP4A11 834/4885RAB9A 903/4885

“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.