SCHEMBL1683176

SCHEMBL1683176

O=[C]OCC(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
HTR2A P28223 5/20 0.41
TAAR1 Q96RJ0 1/20 0.41
CA7 P43166 1/20 0.41
CYP2D6 P10635 2/20 0.38
CYP1A2 P05177 1/20 0.38
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HRH1 P35367 5/20 0.38
MTOR P42345 1/20 0.38
RAB9A P51151 1/20 0.38
GRM7 Q14831 1/20 0.38
TSHR P16473 2/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
SCN4A P35499 2/20 0.36

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
SCHEMBL9865734 0.81 KDM4E (0.50) CYP2D6CYP1A2PKMSMN1; SMN2NPSR1
SCHEMBL424239 0.81 TAAR1 (0.47) TAAR1
SCHEMBL2171152 0.78 HRH1 (0.45) HTR2ATAAR1CYP2D6CYP1A2SMN1; SMN2
SCHEMBL11124275 0.78 TSHR (0.38) CYP2D6CYP1A2PKMSMN1; SMN2NPSR1
SCHEMBL11124263 0.78 TSHR (0.38) CYP2D6CYP1A2PKMSMN1; SMN2NPSR1
SCHEMBL8489804 0.78 CCR5 (0.41) TAAR1CYP2D6CYP1A2PKMSMN1; SMN2
SCHEMBL3103406 0.77 ALDH1A1 (0.33) HTR2ATAAR1CYP2D6CYP1A2PKM
SCHEMBL9572737 0.75 SMN1; SMN2 (0.39) CYP2D6CYP1A2PKMSMN1; SMN2NPSR1
SCHEMBL118823 0.75 ALDH1A1 (0.45) CYP1A2SMN1; SMN2TSHRCYP3A4KDM4E
SCHEMBL5601491 0.74 ALDH1A1 (0.48) SMN1; SMN2NPSR1RAB9ACYP3A4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2346877-A1 PROCESS FOR THE PREPARATION OF (3R,3AS,6AR)-HEXAHYDROFURO [2,3-B]FURAN-3-YL (1S,2R)-3-[[(4-AMINOPHENYL) SULFONYL](ISOBUTYL) AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE Tibotec Pharmaceuticals (IE) 2011-07-27 EP disclosed
WO-2011048604-A2 AN IMPROVED PROCESS FOR THE PREPARATION OF DARUNAVIR MATRIX LABORATORIES LIMITED (IN) 2011-04-28 WO disclosed
EP-1285651-B1 MELANIN CONCENTRATING HORMONE ANTAGONISTS TAKEDA PHARMACEUTICAL (JP) 2010-09-01 EP disclosed
WO-2010023322-A1 PROCESS FOR THE PREPARATION OF (3R,3AS,6AR)-HEXAHYDROFURO [2,3-B] FURAN-3-YL (1S,2R)-3-[[(4-AMINOPHENYL) SULFONYL] (ISOBUTYL) AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE TIBOTEC PHARMACEUTICALS (IE) 2010-03-04 WO disclosed
US-7601868-B2 Such as 4-(cyclopropylmethoxy)-N-(2-{4-[1-(1-pyrrolidinyl)ethyl]phenyl}ethyl)benzamide having melanin-concentrating hormone antagonistic action, for prophylaxis and/or treatment of obesity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-13 US disclosed
US-20070173498-A1 Melanin concentrating hormone antagonist KATO KANEYOSHI 2007-07-26 US disclosed
US-7229986-B2 Melanin-concentrating hormone antagonist TAKEDA PHARMACEUTICAL COMPANY LTD. (JP) 2007-06-12 US disclosed
US-7183415-B2 Quinoline compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 US disclosed
EP-1725566-A1 PROCESS FOR THE PREPARATION OF (3R,3AS,6AR)-HEXAHYDROFURO [2,3-B] FURAN-3-YL (1S,2R)-3-[[(4-AMINOPHENYL) SULFONYL] (ISOBUTYL) AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE Tibotec Pharmaceuticals Ltd. (IE) 2006-11-29 EP disclosed
US-20060223826-A1 Indole derivatives as somatostatin agonists or antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED INTELLECTUAL PROPERTY DEPARTMENT (JP) 2006-10-05 US disclosed
EP-1447402-A1 QUINOLINE COMPOUND Takeda Chemical Industries, Ltd. (JP) 2004-08-18 EP disclosed
EP-1437351-A1 AMINE DERIVATIVE Takeda Chemical Industries, Ltd. (JP) 2004-07-14 EP disclosed
WO-2004046107-A1 INDOLE DERIVATIVES AS SOMATOSTATIN AGONISTS OR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-06-03 WO disclosed
US-20040077628-A1 Melanin-concentrating hormone antagonist TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-22 US disclosed
US-20030158177-A1 Treating or preventing obesity TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-08-21 US disclosed
EP-1285651-A1 MELANIN CONCENTRATING HORMONE ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2003-02-26 EP disclosed
EP-1283199-A1 MELANIN-CONCENTRATING HORMONE ANTAGONIST Takeda Chemical Industries, Ltd. (JP) 2003-02-12 EP disclosed
EP-1227090-A1 AMINE DERIVATIVES Tadeka Chemical Industries, Ltd. (JP) 2002-07-31 EP disclosed
EP-1218336-A2 MELANIN CONCENTRATING HORMONE ANTAGONIST Takeda Chemical Industries, Ltd. (JP) 2002-07-03 EP disclosed
WO-2001021577-A2 MELANIN CONCENTRATING HORMONE ANTAGONIST TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-03-29 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 (4 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-20040077628-A1 Melanin-concentrating hormone antagonist MCHR1, MC1R, MCHR2 CA12 3925/4885CA1 3389/4885CA2 1921/4885
US-20060223826-A1 Indole derivatives as somatostatin agonists or antagonists SSTR1, SSTR3, NPY1R CA12 1634/4885CA1 990/4885CA2 650/4885
US-20030158177-A1 Treating or preventing obesity MCHR1, MC1R, NPY1R CA12 4075/4885CA1 3649/4885CA2 2196/4885
US-20070173498-A1 Melanin concentrating hormone antagonist MC1R, MCHR1, MCHR2 CA12 4089/4885CA1 3906/4885CA2 2551/4885

“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.