SCHEMBL3797223

SCHEMBL3797223

CC(C)(N)CCCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.56
SLC6A2 P23975 1/20 0.56
MAOA P21397 1/20 0.50
AOC3 Q16853 1/20 0.48
MAOB P27338 2/20 0.48
HTR2A P28223 2/20 0.48
IDO1 P14902 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
GRM2 Q14416 1/20 0.45
GRM3 Q14832 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
CYP2A6 P11509 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44

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 SCHEMBL11133528 0.98 SLC6A2 (0.54) TAAR1SLC6A2MAOAAOC3MAOB
SCHEMBL3802516 0.94 MAOA (0.54) TAAR1SLC6A2MAOAAOC3MAOB
Hydrochloric Acid SCHEMBL17261340 0.92 MAOB (0.53) TAAR1SLC6A2MAOAAOC3MAOB
SCHEMBL451516 0.86 TAAR1 (0.60) TAAR1SLC6A2MAOAAOC3MAOB
Hydrochloric Acid SCHEMBL11164072 0.84 TAAR1 (0.58) TAAR1SLC6A2MAOAAOC3MAOB
Water SCHEMBL2959270 0.84 TAAR1 (0.58) TAAR1SLC6A2MAOAAOC3MAOB
Bromide SCHEMBL11038152 0.84 TAAR1 (0.58) TAAR1SLC6A2MAOAAOC3MAOB
SCHEMBL6685035 0.82 L3MBTL1 (0.48) SLC6A2MAOAAOC3MAOBHTR2A
SCHEMBL3132011 0.81 CYP1A2 (0.50) TAAR1IDO1CYP2A6SMN1; SMN2
SCHEMBL20343995 0.80 SLC6A2 (0.44) TAAR1SLC6A2MAOAAOC3MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1200076-A4 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2005-02-09 EP claimed
EP-1200076-A1 CALCILYTIC COMPOUNDS SmithKline Beecham Corporation (US) 2002-05-02 EP claimed
WO-2001008673-A1 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2001-02-08 WO claimed
US-20220016613-A1 NOVEL ANNULATION CATALYSTS VIA DIRECT C-H BOND AMINATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2022-01-20 US disclosed
EP-3212614-B1 PROCESS FOR MAKING BENZOXAZINES CYTEC IND INC (US) 2019-05-01 EP disclosed
US-8039514-B2 Sulfonamide compounds and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2011-10-18 US disclosed
US-8039514-B2 Sulfonamide compounds and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2011-10-18 US disclosed
EP-2292592-A1 SULFONAMIDE COMPOUND AND APPLICATION THEREOF Asahi Kasei Pharma Corporation (JP) 2011-03-09 EP disclosed
US-7902394-B2 Calcilytic compounds GLAXOSMITHKLINE LLC (US) 2011-03-08 US disclosed
US-20100029782-A1 Calcilytic Compounds SMITHKLINE BEECHAM CORPORATION (US) 2010-02-04 US disclosed
US-20100022601-A1 SULFONAMIDE COMPOUNDS AND THE USE ASAHI KASEI PHARMA CORPORATION (JP) 2010-01-28 US disclosed
EP-2120898-A1 CALCILYTIC COMPOUNDS SmithKline Beecham Corporation (US) 2009-11-25 EP disclosed
WO-2008077009-A1 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-06-26 WO disclosed
EP-1200076-A4 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2005-02-09 EP disclosed
EP-1200076-A1 CALCILYTIC COMPOUNDS SmithKline Beecham Corporation (US) 2002-05-02 EP disclosed
WO-2001008673-A1 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2001-02-08 WO disclosed
US-4395410-A Quaternary ammonium antiarrhythmic drugs ELI LILLY AND COMPANY (US) 1983-07-26 US disclosed
EP-0002604-B1 QUATERNARY AMMONIUM SALTS, AND THEIR FORMULATIONS AND PREPARATION ELI LILLY AND COMPANY (US) 1983-05-04 EP disclosed
US-4289787-A PROLONG ACTION POTENTIAL OF CARDIAC TISSUE ELI LILLY AND COMPANY (US) 1981-09-15 US disclosed
EP-0002604-A1 Quaternary ammonium salts, and their formulations and preparation ELI LILLY AND COMPANY (US) 1979-06-27 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-20100029782-A1 Calcilytic Compounds CALCR, CALCA, CALCB TAAR1 3806/4885SLC6A2 1886/4885MAOA 3350/4885
US-20220016613-A1 NOVEL ANNULATION CATALYSTS VIA DIRECT C-H BOND AMINATION AADAC, CAD, AOC1 TAAR1 1815/4885SLC6A2 3657/4885MAOA 305/4885
US-20100022601-A1 SULFONAMIDE COMPOUNDS AND THE USE PTH1R, CASR, SOST TAAR1 786/4885SLC6A2 3750/4885MAOA 4286/4885

“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.