SCHEMBL5270656

SCHEMBL5270656

CCOc1cccc2c1CCCC2=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.56
ADRB2 P07550 2/20 0.56
ADRB1 P08588 2/20 0.56
ADRB3 P13945 2/20 0.56
HTR1A P08908 1/20 0.56
TSHR P16473 1/20 0.56
SLC6A4 P31645 1/20 0.56
SIGMAR1 Q99720 1/20 0.56
ABCB1 P08183 2/20 0.47
S1PR1 P21453 1/20 0.44
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
HTT P42858 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
BRD4 O60885 4/20 0.41
LTB4R Q15722 3/20 0.41
LTB4R2 Q9NPC1 3/20 0.41
CYP2A6 P11509 1/20 0.41

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
SCHEMBL24510647 0.90 ABCB1 (0.52) MRGPRX4ADRB2ADRB1ADRB3HTR1A
SCHEMBL5353946 0.88 MRGPRX4 (0.52) MRGPRX4ADRB2ADRB1ADRB3HTR1A
SCHEMBL13481244 0.88 MRGPRX4 (0.54) MRGPRX4ADRB2ADRB1ADRB3HTR1A
SCHEMBL21821534 0.84 MRGPRX4 (0.54) MRGPRX4ADRB2ADRB1ADRB3HTR1A
SCHEMBL264705 0.81 BRD4 (0.54) MRGPRX4ADRB2ADRB1ADRB3HTR1A
SCHEMBL29802310 0.81 BRD4 (0.54) MRGPRX4ADRB2ADRB1ADRB3HTR1A
SCHEMBL7525616 0.81 ALDH1A1 (0.56) MRGPRX4ADRB2ADRB1ADRB3HTR1A
SCHEMBL28986027 0.81 MRGPRX4 (0.54) MRGPRX4ADRB2ADRB1ADRB3HTR1A
SCHEMBL30317439 0.81 MRGPRX4 (0.54) MRGPRX4ADRB2ADRB1ADRB3HTR1A
SCHEMBL5101144 0.80 MRGPRX4 (0.74) MRGPRX4ADRB2ADRB1ADRB3HTR1A

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1748994-B1 NITROOXYDERIVATIVES OF ANTIHYPERTENSIVE DRUGS NICOX SA (FR) 2009-02-18 EP disclosed
EP-1848289-A2 AROMATIC AMIDES AND UREAS AND THEIR USES AS SWEET AND/OR UMAMI FLAVOR MODIFIERS, TASTANTS AND TASTE ENHANCERS Senomyx, Inc. (US) 2007-10-31 EP disclosed
US-20070060586-A1 Nitrooxyderivatives of antihypertensive drugs NICOX S.A. (FR) 2007-03-15 US disclosed
US-20070060586-A1 Nitrooxyderivatives of antihypertensive drugs NICOX S.A. (FR) 2007-03-15 US disclosed
US-7132419-B2 Pharmaceutical compounds XENOVA LIMITED (GB) 2006-11-07 US disclosed
WO-2006084246-A2 AROMATIC AMIDES AND UREAS AND THEIR USES AS SWEET AND/OR UMAMI FLAVOR MODIFIERS, TASTANTS AND TASTE ENHANCERS SENOMYX, INC. (US) 2006-08-10 WO disclosed
US-20060045953-A1 Aromatic amides and ureas and their uses as sweet and/or umami flavor modifiers, tastants and taste enhancers SENOMYX, INC. 2006-03-02 US disclosed
US-20050143383-A1 Pharmaceutical compounds XENOVA LIMITED (GB) 2005-06-30 US disclosed
EP-1028110-B1 NOVEL DIHYDRONAPHTHALENE COMPOUNDS AND PROCESS FOR PRODUCING THE SAME DAIICHI SEIYAKU CO (JP) 2004-04-14 EP disclosed
US-20030139409-A1 Benzo[A] [phenazin-11-carboxamide derivatives and their use as joint inhibitors of topomerase I and II XENOVA LIMITED (GB) 2003-07-24 US disclosed
US-6559157-B2 Excellent 17 alpha - hydroxylase/C17-20-lyase and aromatase inhibiting activity, thromboxan A2 synthesis inhibiting activity, useful as preventive and/or therapeutic agents for various male and female sex hormone dependent diseases DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-05-06 US disclosed
EP-1240148-A1 BENZO[A]PHENAZIN-11-CARBOXAMIDE DERIVATIVES AND THEIR USE AS JOINT INHIBITORS OF TOPOMERASE I AND II Xenova Limited (GB) 2002-09-18 EP disclosed
US-20020032211-A1 Novel dihydronaphthalene compounds and processes of producing the same DAIICHI PHARMACEUTICALS CO., LTD. (JP) 2002-03-14 US disclosed
WO-2001046157-A1 BENZO[A]PHENAZIN-11-CARBOXAMIDE DERIVATIVES AND THEIR USE AS JOINT INHIBITORS OF TOPOMERASE I AND II XENOVA LIMITED (GB) 2001-06-28 WO disclosed
EP-1028110-A1 NOVEL DIHYDRONAPHTHALENE COMPOUNDS AND PROCESS FOR PRODUCING THE SAME Yukijirushi Nyugyo Kabushiki Kaisha (JP) 2000-08-16 EP disclosed
US-5288749-A Treating central nervous system or cardiovascular disorders ABBOTT LABORATORIES (US) 1994-02-22 US disclosed
WO-1993012754-A2 TERTIARY AND SECONDARY AMINES AS ALPHA-2 ANTAGONISTS AND SEROTONIN UPTAKE INHIBITORS ABBOTT LABORATORIES (US) 1993-07-08 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-20020032211-A1 Novel dihydronaphthalene compounds and processes of producing the same CYP19A1, HSD17B11, CYP17A1 MRGPRX4 987/4885ADRB2 1499/4885ADRB1 977/4885
US-20070060586-A1 Nitrooxyderivatives of antihypertensive drugs ADRB2, ADRB1, ADRA2B MRGPRX4 201/4885ADRB2 1/4885ADRB1 2/4885
US-20050143383-A1 Pharmaceutical compounds CHRNA10, OPRM1, SCN10A MRGPRX4 1178/4885ADRB2 259/4885ADRB1 316/4885
US-20030139409-A1 Benzo[A] [phenazin-11-carboxamide derivatives and their use as joint inhibitors of topomerase I and II TOP1, TOP2A, TOP2B MRGPRX4 4194/4885ADRB2 2668/4885ADRB1 2569/4885

“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.