SCHEMBL455554

SCHEMBL455554

Oc1noc2c1CNCC2

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 14/20 0.59
CHRM5 P08912 9/20 0.54
CHRM1 P11229 9/20 0.54
CHRM2 P08172 8/20 0.54
CHRM4 P08173 8/20 0.54
HTR2C P28335 2/20 0.49
HTR2A P28223 1/20 0.45
HTR7 P34969 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
Bromide SCHEMBL10652839 0.98 CHRM3 (0.57) CHRM3CHRM5CHRM1CHRM2CHRM4
SCHEMBL7412192 0.89 CHRM3 (0.63) CHRM3CHRM5CHRM1CHRM2CHRM4
Bromide SCHEMBL10460358 0.87 CHRM3 (0.61) CHRM3CHRM5CHRM1CHRM2CHRM4
SCHEMBL7412843 0.86 HTR2C (0.59) CHRM3CHRM5CHRM1CHRM2CHRM4
Gaboxadol SCHEMBL5533785 0.84 CHRM3 (0.46) CHRM3CHRM5CHRM1CHRM2CHRM4
Gaboxadol SCHEMBL247815 0.84 CHRM3 (0.46) CHRM3CHRM5CHRM1CHRM2CHRM4
Gaboxadol SCHEMBL23851948 0.82 CHRM3 (0.45) CHRM3CHRM5CHRM1CHRM2CHRM4
Gaboxadol SCHEMBL1403323 0.82 CHRM3 (0.45) CHRM3CHRM5CHRM1CHRM2CHRM4
Gaboxadol SCHEMBL3980688 0.82 CHRM3 (0.45) CHRM3CHRM5CHRM1CHRM2CHRM4
Gaboxadol SCHEMBL3983776 0.82 CHRM3 (0.45) CHRM3CHRM5CHRM1CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1839657-A2 A method for treating vascular headaches THE GENERAL HOSPITAL CORPORATION (US) 2007-10-03 EP claimed
EP-3596060-B1 NEW BICYCLIC COMPOUNDS AS ATX INHIBITORS HOFFMANN LA ROCHE (CH) 2023-09-20 EP disclosed
EP-3353176-B1 BICYCLIC COMPOUNDS AS ATX INHIBITORS HOFFMANN LA ROCHE (CH) 2022-01-19 EP disclosed
US-10800786-B2 Bicyclic compounds as ATX inhibitors HOFFMAN-LA ROCHE INC. (US) 2020-10-13 US disclosed
US-20200087307-A1 BICYCLIC COMPOUNDS AS ATX INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2020-03-19 US disclosed
US-20160120995-A1 CONJUGATES OF POLYUNSATURATED FATTY ACIDS AND AMINE-CONTAINING COMPOUNDS AND USES THEREOF MEDWELL LAB LTD (IL) 2016-05-05 US disclosed
US-9108937-B2 Positive allosteric modulators of mGluR2 MERCK SHARP & DOHME CORP. (US) 2015-08-18 US disclosed
US-9108937-B2 Positive allosteric modulators of mGluR2 MERCK SHARP & DOHME CORP. (US) 2015-08-18 US disclosed
US-9108937-B2 Positive allosteric modulators of mGluR2 MERCK SHARP & DOHME CORP. (US) 2015-08-18 US disclosed
EP-2542083-B1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 MERCK SHARP & DOHME (US) 2015-05-06 EP disclosed
EP-0631623-A4 DNA ENCODING TAURINE AND GABA TRANSPORTERS AND USES THEREOF. SYNAPTIC PHARMA CORP (US) 1996-09-25 EP disclosed
WO-1996015782-A1 A METHOD FOR TREATING VASCULAR HEADACHES THE GENERAL HOSPITAL CORPORATION (US) 1996-05-30 WO disclosed
EP-0631623-A1 DNA ENCODING TAURINE AND GABA TRANSPORTERS AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1995-01-04 EP disclosed
WO-1993018143-A1 DNA ENCODING TAURINE AND GABA TRANSPORTERS AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1993-09-16 WO disclosed
US-4761429-A ALCOHOL CRAVING BIESER, ALBERT H. 1988-08-02 US disclosed
EP-0126654-B1 TETRAHYDROISOXAZOLO(4,5-C)PYRIDINE DERIVATIVES AND PREPARATION THEREOF H. LUNDBECK A/S (DK) 1988-05-04 EP disclosed
EP-0000338-B1 ISOXAZOLO(5,4-C)PYRIDINE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM H.Lundbeck & Co., A/S (DK) 1981-11-25 EP disclosed
US-4301287-A FOR TREATMENT OF PSYCHOLOGICAL AND NERVOUS SYSTEM DISORDERS H. LUNDBECK & CO. A/S (DK) 1981-11-17 US disclosed
US-4278676-A NERVOUS SYSTEM DISORDERS, CYCLIZATION, HYDROLYSIS H. LUNDBECK & CO. A/S (DK) 1981-07-14 US disclosed
EP-0000338-A2 Isoxazolo(5,4-c)pyridine derivatives, their preparation and pharmaceutical compositions containing them H.Lundbeck & Co., A/S (DK) 1979-01-24 EP 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 (3 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-10800786-B2 Bicyclic compounds as ATX inhibitors ATXN2, ATXN2L, ATXN10 CHRM3 952/4885CHRM5 550/4885CHRM1 807/4885
US-20160120995-A1 CONJUGATES OF POLYUNSATURATED FATTY ACIDS AND AMINE-CONTAINING COMPOUNDS AND USES THEREOF ALOX5, ALOX15B, ALOX15 CHRM3 489/4885CHRM5 203/4885CHRM1 430/4885
US-20200087307-A1 BICYCLIC COMPOUNDS AS ATX INHIBITORS ATXN2, ATXN2L, ATXN10 CHRM3 952/4885CHRM5 550/4885CHRM1 807/4885

“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.