SCHEMBL335313

SCHEMBL335313

COc1ccccc1NCCCN

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.68
KAT2B Q92831 3/20 0.49
TAAR1 Q96RJ0 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
IDO1 P14902 1/20 0.45
RAD52 P43351 1/20 0.45
MAPT P10636 3/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPK1 P28482 1/20 0.45
GBA1 P04062 1/20 0.45
HTR1A P08908 3/20 0.44
ADRA1D P25100 2/20 0.44
ADRA1A P35348 2/20 0.44
ADRA1B P35368 2/20 0.44
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43

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
SCHEMBL19442421 0.95 CHRM2 (0.71) CHRM2KAT2BTAAR1L3MBTL1RAD52
SCHEMBL5800488 0.89 CHRM2 (0.62) CHRM2TAAR1L3MBTL1IDO1MAPT
SCHEMBL24267803 0.89 CHRM2 (0.82) CHRM2RAD52MAPT
SCHEMBL20232445 0.89 CHRM2 (0.82) CHRM2RAD52MAPT
SCHEMBL12162852 0.84 CHRM2 (0.65) CHRM2L3MBTL1MAPTALDH1A1GBA1
SCHEMBL6173269 0.84 CHRM2 (0.70) CHRM2L3MBTL1MAPTALDH1A1GBA1
SCHEMBL4157235 0.82 CHRM2 (0.68) CHRM2L3MBTL1MAPTALDH1A1GBA1
SCHEMBL22652639 0.82 CHRM2 (0.97) CHRM2MAPTALDH1A1
SCHEMBL11496106 0.82 CHRM2 (0.73) CHRM2GBA1HTR1AADRA1DADRA1A
SCHEMBL23467818 0.82 CHRM2 (0.97) CHRM2MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2938608-B1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 SANFORD BURNHAM MED RES INST (US) 2021-08-04 EP disclosed
US-10472356-B2 Bicyclic ketone sulfonamide compounds AMGEN INC. (US) 2019-11-12 US disclosed
US-20180051021-A1 BICYCLIC KETONE SULFONAMIDE COMPOUNDS AMGEN INC. (US) 2018-02-22 US disclosed
US-9868707-B2 Small molecule agonists of neurotensin receptor 1 SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2018-01-16 US disclosed
US-20150329497-A1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 DUKE UNIVERSITY (US) 2015-11-19 US disclosed
EP-2938608-A1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 Sanford-Burnham Medical Research Institute (US) 2015-11-04 EP disclosed
WO-2014100501-A1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2014-06-26 WO disclosed
US-8097708-B2 10a-Azalide compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-17 US disclosed
US-20090281292-A1 10a-Azalide Compound MEIJI SEIKA PHARMA CO., LTD. (JP) 2009-11-12 US disclosed
EP-1985620-A1 10a-AZALIDE COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2008-10-29 EP disclosed
EP-0717739-B1 1,4-Benzodioxane derivatives having affinity for D2 receptors and utility in the treatment of psychoses KNOLL AG (DE) 2000-03-29 EP disclosed
US-5767116-A TREATING PSYCHOSES KNOLL ATKIENGESELLSCHAFT (DE) 1998-06-16 US disclosed
EP-0717739-A1 BICYCLIC AROMATIC COMPOUNDS AS THERAPEUTIC AGENTS Knoll AG (DE) 1996-06-26 EP disclosed
WO-1995007274-A1 BICYCLIC AROMATIC COMPOUNDS AS THERAPEUTIC AGENTS KNOLL AG (DE) 1995-03-16 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-10472356-B2 Bicyclic ketone sulfonamide compounds TRPV1, TRPA1, KCNJ11 CHRM2 1129/4885KAT2B 1192/4885TAAR1 410/4885
US-20180051021-A1 BICYCLIC KETONE SULFONAMIDE COMPOUNDS TRPV1, TRPA1, KCNJ11 CHRM2 1129/4885KAT2B 1192/4885TAAR1 410/4885
US-20150329497-A1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 NTSR1, NTSR2, VIPR1 CHRM2 554/4885KAT2B 4460/4885TAAR1 46/4885
US-20090281292-A1 10a-Azalide Compound IL17A, AZI2, HDAC9 CHRM2 3989/4885KAT2B 749/4885TAAR1 4408/4885

“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.