SCHEMBL4423947

SCHEMBL4423947

C=CC(=O)CCc1ccccc1OC

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 1/20 0.53
▸ MTNR1B P49286 1/20 0.53
▸ TAAR1 Q96RJ0 1/20 0.50
▸ NPC1 O15118 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ LMNA P02545 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ CHRM2 P08172 1/20 0.48
▸ CHRM1 P11229 1/20 0.48
▸ CHRM3 P20309 1/20 0.48
▸ CASP3 P42574 1/20 0.47
▸ CASP7 P55210 1/20 0.47
▸ THRA P10827 1/20 0.47
▸ THRB P10828 1/20 0.47

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
SCHEMBL4491411 0.83 KMT2A (0.50) MTNR1AMTNR1BTAAR1NPC1RAB9A
SCHEMBL30800373 0.81 MTNR1A (0.60) MTNR1AMTNR1BTAAR1CASP3CASP7
SCHEMBL7331644 0.81 MTNR1A (0.60) MTNR1AMTNR1BTAAR1CASP3CASP7
SCHEMBL28769711 0.81 THRA (0.45) MTNR1AMTNR1BNPC1RAB9AKMT2A
SCHEMBL29590071 0.80 LMNA (0.59) MTNR1AMTNR1BTAAR1LMNASMN1; SMN2
SCHEMBL30365164 0.80 MTNR1A (0.63) MTNR1AMTNR1BTAAR1KMT2ALMNA
SCHEMBL266525 0.80 MTNR1A (0.63) MTNR1AMTNR1BTAAR1KMT2ALMNA
SCHEMBL362209 0.80 LMNA (0.59) MTNR1AMTNR1BTAAR1LMNASMN1; SMN2
SCHEMBL14614108 0.80 CYP4F2 (0.44) LMNATSHRTHRATHRB
SCHEMBL21030101 0.79 NFE2L2 (0.70) NPC1RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598384-B2 Tetrahydroquinolinones and their use as antagonists of metabotropic glutamate receptors MERZ PHARMA GMBH & CO. KGAA (DE) 2009-10-06 — — US disclosed
EP-1723116-B1 TETRAHYDROQUINOLINONES AND THEIR USE AS ANTAGONISTS OF METABOTROPIC GLUTAMATE RECEPTORS MERZ PHARMA GMBH & CO KGAA (DE) 2008-09-24 — — EP disclosed
EP-1723116-A2 TETRAHYDROQUINOLINONES AND THEIR USE AS ANTAGONISTS OF METABOTROPIC GLUTAMATE RECEPTORS Merz Pharma GmbH & Co. KGaA (DE) 2006-11-22 — — EP disclosed
WO-2005082856-A2 TETRAHYDROQUINOLINONES AND THEIR USE AS ANTAGONISTS OF METABOTROPIC GLUTAMATE RECEPTORS MERZ PHARMA GMBH & CO. KGAA (DE) 2005-09-09 — — WO disclosed
US-20050197361-A1 Specific binding is extremely high; low toxicity; high degree of activity; 2-(5-m-Tolyl-thiazol-2-yl )-7,8-dihydro-6H-quinolin-5-one, acute and/or chronic neurological disorders MERZ PHARMA GMBH & CO. KGAA (DE) 2005-09-08 — — 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 (1 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-20050197361-A1 Specific binding is extremely high; low toxicity; high degree of activity; 2-(5-m-Tolyl-thiazol-2-yl )-7,8-dihydro-6H-quinolin-5-one, acute and/or chronic neurological disorders GRM5, GRIK5, GRIN2C MTNR1A 171/4885MTNR1B 133/4885TAAR1 328/4885

“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.

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