SCHEMBL705718

SCHEMBL705718

C=CC(=O)Cc1ccccc1C

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CTBP2 P56545 1/20 0.50
▸ KMT2A Q03164 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ MAPT P10636 1/20 0.45
▸ SHBG P04278 1/20 0.44
▸ GAA P10253 1/20 0.42
▸ HPGD P15428 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ CASP3 P42574 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ AKT1 P31749 1/20 0.41
▸ MAPK8 P45983 1/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ POLB P06746 1/20 0.39

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
SCHEMBL3629093 0.82 CTBP2 (0.51) CTBP2KMT2AMEN1MAPTSHBG
SCHEMBL2441467 0.81 NOTUM (0.48) CTBP2KMT2AMEN1MAPTGAA
SCHEMBL14889172 0.80 AKT1 (0.43) KMT2AMEN1MAPTGAAHPGD
SCHEMBL668441 0.78 AKR1B1 (0.61) AKT1TAAR1
SCHEMBL12802191 0.78 CTBP2 (0.43) CTBP2KMT2AMEN1MAPTSHBG
SCHEMBL13091213 0.78 SRC (0.44) KMT2AMEN1ALDH1A1NPC1HTT
SCHEMBL13679443 0.78 TAAR1 (0.43) KMT2AMEN1MAPTGAAHPGD
SCHEMBL2935824 0.77 CTBP2 (0.58) CTBP2KMT2AMEN1MAPTSHBG
SCHEMBL15946705 0.77 ALDH1A1 (0.41) KMT2AMEN1MAPTGAAHPGD
SCHEMBL8800339 0.77 LMNA (0.43) KMT2AMEN1MAPTGAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102300550-A Perfume systems — 2011-12-28 — — CN claimed
EP-2144503-B9 4-(octahydro-2H-isoindol-2-yl)-1,3-oxazol-4-one as TACHYKININ RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2013-09-04 — — EP disclosed
EP-2144503-B1 4-(octahydro-2H-isoindol-2-yl)-1,3-oxazol-4-one as TACHYKININ RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2013-03-27 — — EP disclosed
US-8124633-B2 Hydroxymethyl ether hydroisoindoline tachykinin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2012-02-28 — — US disclosed
US-20100105747-A1 HYDROXYMETHYL ETHER HYDROISOINDOLINE TACHYKININ RECEPTOR ANTAGONISTS VYNE THERAPEUTICS INC. (F/K/A MENLO THERAPEUTICS INC. AND SUCCESSOR-IN-INTEREST TO VYNE PHARMACEUTICALS LTD., F/K/A FOAMIX PHARMACEUTICALS LTD.) 2010-04-29 — — US disclosed
US-7683068-B2 Hydroisoindoline tachykinin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2010-03-23 — — US disclosed
EP-2144503-A1 HYDROXYMETHYL ETHER HYDROISOINDOLINE TACHYKININ RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2010-01-20 — — EP disclosed
US-7645790-B2 Hydroisoindoline tachykinin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2010-01-12 — — US disclosed
US-20090054462-A1 Hydroisoindoline tachykinin receptor antagonists MERCK SHARP & DOHME CORP. 2009-02-26 — — US disclosed
US-20080280966-A1 Hydroisoindoline Tachykinin Receptor Antagonists VYNE THERAPEUTICS INC. (F/K/A MENLO THERAPEUTICS INC. AND SUCCESSOR-IN-INTEREST TO VYNE PHARMACEUTICALS LTD., F/K/A FOAMIX PHARMACEUTICALS LTD.) 2008-11-13 — — US disclosed
WO-2008124143-A1 HYDROXYMETHYL ETHER HYDROISOINDOLINE TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2008-10-16 — — WO disclosed
EP-1898905-A2 HYDROISOINDOLINE TACHYKININ RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2008-03-19 — — EP disclosed
US-7345083-B2 Hydroisoindoline tachykinin receptor antagonists MERCK & CO., INC. (US) 2008-03-18 — — US disclosed
EP-1711465-B1 HYDROISOINDOLINE TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2007-12-26 — — EP disclosed
US-20070161695-A1 Hydroisoindoline tachykinin receptor antagonists VYNE THERAPEUTICS INC. (F/K/A MENLO THERAPEUTICS INC. AND SUCCESSOR-IN-INTEREST TO VYNE PHARMACEUTICALS LTD., F/K/A FOAMIX PHARMACEUTICALS LTD.) 2007-07-12 — — US disclosed
US-7217731-B2 Hydroisoindoline tachykinin receptor antagonists MERCK & CO., INC. (US) 2007-05-15 — — US disclosed
WO-2007002457-A2 HYDROISOINDOLINE TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2007-01-04 — — WO disclosed
EP-1711465-A1 HYDROISOINDOLINE TACHYKININ RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2006-10-18 — — EP disclosed
WO-2005073191-A1 HYDROISOINDOLINE TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2005-08-11 — — WO disclosed
US-20050165083-A1 Hydroisoindoline tachykinin receptor antagonists VYNE THERAPEUTICS INC. (F/K/A MENLO THERAPEUTICS INC. AND SUCCESSOR-IN-INTEREST TO VYNE PHARMACEUTICALS LTD., F/K/A FOAMIX PHARMACEUTICALS LTD.) 2005-07-28 — — 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 (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-20090054462-A1 Hydroisoindoline tachykinin receptor antagonists TACR1, TACR2, NPSR1 CTBP2 4492/4885KMT2A 1474/4885MEN1 1301/4885
US-20050165083-A1 Hydroisoindoline tachykinin receptor antagonists TACR1, TACR2, NPSR1 CTBP2 4492/4885KMT2A 1474/4885MEN1 1301/4885
US-20070161695-A1 Hydroisoindoline tachykinin receptor antagonists TACR1, TACR2, NPSR1 CTBP2 4492/4885KMT2A 1474/4885MEN1 1301/4885
US-20100105747-A1 HYDROXYMETHYL ETHER HYDROISOINDOLINE TACHYKININ RECEPTOR ANTAGONISTS TACR1, HTR1D, TACR2 CTBP2 3996/4885KMT2A 133/4885MEN1 688/4885
US-20080280966-A1 Hydroisoindoline Tachykinin Receptor Antagonists TACR1, TACR2, NPSR1 CTBP2 4693/4885KMT2A 1685/4885MEN1 1280/4885

“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.

Send feedback