SCHEMBL2004098

SCHEMBL2004098

O=[C]COc1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 7/20 0.54
CHRNA4 P43681 7/20 0.54
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CHRNA3 P32297 2/20 0.46
CHRNA7 P36544 2/20 0.46
CHRNA1 P02708 1/20 0.46
CHRNG P07510 1/20 0.46
CHRNB1 P11230 1/20 0.46
CHRNB4 P30926 1/20 0.46
CHRND Q07001 1/20 0.46
LMNA P02545 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL7305175 0.81 CHRNB2 (0.51) CHRNB2CHRNA4CHRNA3CHRNA7CHRNA1
SCHEMBL105590 0.81 CHRNB2 (0.51) CHRNB2CHRNA4CHRNA3CHRNA7CHRNA1
SCHEMBL4808799 0.81 CHRNB2 (0.51) CHRNB2CHRNA4CHRNA3CHRNA7CHRNA1
Formaldehyde SCHEMBL28730871 0.80 CHRNB2 (0.47) CHRNB2CHRNA4MAPTRAB9ANPSR1
SCHEMBL14351334 0.78 CHRNB2 (0.49) CHRNB2CHRNA4MAPTRAB9ANPSR1
SCHEMBL11478353 0.78 CHRNB2 (0.49) CHRNB2CHRNA4CHRNA3CHRNA7CHRNA1
SCHEMBL5570294 0.77 CHRNB2 (0.47) CHRNB2CHRNA4CHRNA3CHRNA7CHRNA1
SCHEMBL7864774 0.75 SMN1; SMN2 (0.41) RAB9ANPSR1LMNA
SCHEMBL24458 0.74 KCNA3 (0.50) CHRNB2CHRNA4CHRNA3CHRNA7CHRNB4
SCHEMBL3266596 0.74 CHRNB2 (0.62) CHRNB2CHRNA4MAPTRAB9ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7964613-B2 (S)-3-amino-1-(4-bromo-5-isoquinolinesulfonyl)pyrrolidine; inhibits phosphorylation of myosin regulatory light chain; for spinal canal stenosis, spinal cord injury, rheumatoid arthritis, multiple sclerosis; Rho kinase inhibitors ASAHI KASEI PHARMA CORPORATION (JP) 2011-06-21 US disclosed
EP-2130828-A1 SULFONAMIDE DERIVATIVE Asahi Kasei Pharma Corporation (JP) 2009-12-09 EP disclosed
US-20090048223-A1 Sulfonamide compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-02-19 US disclosed
EP-1301480-B1 1,3-DISUBSTITUTED AND 1,3,3-TRISUBSTITUTED PYRROLIDINES AS HISTAMINE-3 RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS ABBOTT LAB (US) 2007-09-12 EP disclosed
US-20050113435-A1 Histamine-3 receptor ligands for diabetic conditions HANCOCK ARTHUR A (US) 2005-05-26 US disclosed
EP-1474132-A1 HISTAMINE-3 RECEPTOR LIGANDS FOR DIABETIC CONDITIONS Abbott Laboratories (US) 2004-11-10 EP disclosed
EP-1467727-A1 1,3-DISUBSTITUTED AND 1,3,3,-TRISUBSTITUTED PYRROLIDINES AS HISTAMINE-3 RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS Abbott Laboratories (US) 2004-10-20 EP disclosed
US-6620839-B2 1,3-disubstituted and 1,3,3-trisubstituted pyrrolidines as histamine-3 receptor ligands and their therapeutic applications ABBOTT LABORATORIES 2003-09-16 US disclosed
US-20030153548-A1 Histamine-3 receptor ligands for diabetic conditions ABBOTT LABORATORIES 2003-08-14 US disclosed
WO-2003059342-A1 HISTAMINE-3 RECEPTOR LIGANDS FOR DIABETIC CONDITIONS ABBOTT LABORATORIES (US) 2003-07-24 WO disclosed
US-4908444-A Method of producing cephem compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-03-13 US disclosed
EP-0354538-A2 Method for producing cephem compounds Takeda Chemical Industries, Ltd. (JP) 1990-02-14 EP disclosed
EP-0230972-A2 Method of producing cephem compounds Takeda Chemical Industries, Ltd. (JP) 1987-08-05 EP disclosed
US-4680390-A CEPHALOSPORINS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-07-14 US disclosed
US-4520194-A BACTERICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-05-28 US disclosed
US-4510138-A 7-[2-(2-Aminothiazol-4-yl)-2-(syn)-methoxyiminoacetamido]cephalosporin derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-04-09 US disclosed
US-4278671-A ANTIBIOTICS, BACTERICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-07-14 US disclosed
US-4182866-A CEPHALOSPORINS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1980-01-08 US disclosed
US-4145540-A ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1979-03-20 US disclosed
US-4011214-A 3-(MORPHOLINOALKOXYIMINOMETHYL)CEPHEM COMPOUNDS TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1977-03-08 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 (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-20030153548-A1 Histamine-3 receptor ligands for diabetic conditions HRH4, HRH2, HRH3 CHRNB2 1168/4885CHRNA4 624/4885MAPT 3813/4885
US-20050113435-A1 Histamine-3 receptor ligands for diabetic conditions HRH4, HRH2, HRH3 CHRNB2 1168/4885CHRNA4 624/4885MAPT 3813/4885
US-20090048223-A1 Sulfonamide compound ALK, AKT1, ARAF CHRNB2 2740/4885CHRNA4 3061/4885MAPT 4789/4885

“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.