SCHEMBL3620476

SCHEMBL3620476

CC1CN(c2ccc([N+](=O)[O-])c3ccccc23)CCN1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.60
CTSB P07858 3/20 0.60
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
MAPT P10636 6/20 0.56
HTT P42858 1/20 0.42
GAA P10253 1/20 0.42
TNNI3 P19429 1/20 0.41
TNNT2 P45379 1/20 0.41
TNNC1 P63316 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL4245020 1.00 AR (0.60) ARCTSBALDH1A1LMNAMAPT
SCHEMBL3619196 0.85 AR (0.61) ARCTSBMAPTHTTGAA
SCHEMBL3619197 0.85 AR (0.61) ARCTSBMAPTHTTGAA
SCHEMBL6195201 0.84 MAPT (0.60) ALDH1A1LMNAMAPTHTTSMN1; SMN2
SCHEMBL6197167 0.84 MAPT (0.60) ALDH1A1LMNAMAPTHTTSMN1; SMN2
SCHEMBL6196541 0.84 MAPT (0.60) ALDH1A1LMNAMAPTHTTSMN1; SMN2
SCHEMBL2711827 0.81 CTSB (0.75) ARCTSBALDH1A1LMNAMAPT
SCHEMBL3622442 0.79 AR (0.49) ARCTSBALDH1A1LMNAMAPT
SCHEMBL4247507 0.78 HTR2C (0.45) ALDH1A1LMNAMAPT
SCHEMBL4247502 0.78 HTR2C (0.45) ALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222330-A1 New Compounds BIOVITRUM AB (SE) 2010-09-02 US disclosed
US-7572787-B2 Substituted naphthalene sulfonamides BIOVITRUM AB (SE) 2009-08-11 US disclosed
US-20090036455-A1 ARYLPIPERAZINE DERIVATIVE AND USE THEREOF AS 5-HT1A RECEPTOR LIGANDS CEPA SCHWARZ PHARMA, S.L. (ES) 2009-02-05 US disclosed
EP-1830854-A1 ARYLPIPERAZINE DERIVATIVES AND USE THEREOF AS 5-HT1A RECEPTOR LIGANDS Schwarz Pharma, s.l. (ES) 2007-09-12 EP disclosed
US-20070066598-A1 Compounds BIOVITRUM AB, A SWEDEN CORPORATION 2007-03-22 US disclosed
US-20070066599-A1 New compounds BIOVITRUM AB, A SWEDEN CORPORATION 2007-03-22 US disclosed
US-20070066600-A1 Compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2007-03-22 US disclosed
US-7144883-B2 Bicyclic sulfonamide compounds BIOVITRUM AB (SE) 2006-12-05 US disclosed
WO-2006069993-A1 ARYLPIPERAZINE DERIVATIVES AND USE THEREOF AS 5-HT1A RECEPTOR LIGANDS SCHWARZ PHARMA S.L. (ES) 2006-07-06 WO disclosed
EP-1412325-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS, PROCESS FOR THEIR USE AS MEDICAMENT FOR THE TREATMENT OF CNS DISORDERS, OBESITY AND TYPE II DIABETES BIOVITRUM AB (SE) 2004-04-28 EP disclosed
US-20030158202-A1 Substituted fused ring sulfonamides containing, e.g., naphthalene, isoquinoline, quinoline, benzofuran or benzothiophene rings; treatment of conditions relating to obesity, type II diabetes and CNS disorders PROXIMAGEN NEUROSCIENCE PLC (GB) 2003-08-21 US disclosed
WO-2002100822-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS, PROCESS FOR THEIR USE AS MEDICAMENT FOR THE TREATMENT OF CNS DISORDERS, OBESITY AND TYPE II DIABETES BIOVITRUM AB (SE) 2002-12-19 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 (6 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-20070066599-A1 New compounds SULT2A1, GPR119, STS AR 2362/4885CTSB 1810/4885ALDH1A1 363/4885
US-20070066598-A1 Compounds SULT2A1, STS, SLC5A2 AR 2238/4885CTSB 1626/4885ALDH1A1 262/4885
US-20030158202-A1 Substituted fused ring sulfonamides containing, e.g., naphthalene, isoquinoline, quinoline, benzofuran or benzothiophene rings; treatment of conditions relating to obesity, type II diabetes and CNS disorders SULT2A1, SULT1A1, SULT1E1 AR 2960/4885CTSB 3013/4885ALDH1A1 401/4885
US-20090036455-A1 ARYLPIPERAZINE DERIVATIVE AND USE THEREOF AS 5-HT1A RECEPTOR LIGANDS HTR1A, HTR5A, HTR2C AR 380/4885CTSB 743/4885ALDH1A1 671/4885
US-20070066600-A1 Compounds SULT2A1, STS, SLC5A2 AR 2238/4885CTSB 1626/4885ALDH1A1 262/4885
US-20100222330-A1 New Compounds SULT2A1, GPR119, STS AR 2362/4885CTSB 1810/4885ALDH1A1 363/4885

“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.