SCHEMBL68228

SCHEMBL68228

O=[C]c1cccc2c1Cc1ccccc1-2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.49
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
HTR7 P34969 2/20 0.43
HTR2B P41595 2/20 0.43
MAOA P21397 1/20 0.42
BCHE P06276 1/20 0.39
CES1 P23141 1/20 0.39
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
MAP3K9 P80192 1/20 0.37
MAP3K11 Q16584 1/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL30940563 0.82 TRPA1 (0.50) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL1033059 0.82 TRPA1 (0.50) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL739760 0.81 PNMT (0.49) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL1766127 0.81 PNMT (0.49) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL1612050 0.81 PNMT (0.49) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL8910186 0.80 CYP1A2 (0.39) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL524602 0.79 PNMT (0.63) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL30103334 0.79 PNMT (0.63) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL2120189 0.77 MAOA (0.47) NPC1RAB9AHTR2BMAOABCHE
SCHEMBL28405842 0.77 PNMT (0.49) PNMTNPC1RAB9AHTR7HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115461056-B Inhibitors of Lebaba-specific tyrosine phosphatase (LYP) 普渡研究基金会 2024-04-16 CN claimed
US-8129087-B2 Block copolymer and substrate processing method CANON KABUSHIKI KAISHA (JP) 2012-03-06 US claimed
US-8080522-B2 Polyethlene glycol modifications of thymosin alpha-1 Institute of Pharmacology and Toxicology Academy of Military Mecical Sciences, P.L.A., China (CN) 2011-12-20 US claimed
US-20100234396-A1 Tetrhydropyridoindole Derivatives ACTELION PHARMACEUTICALS LTD (CH) 2010-09-16 US claimed
US-20090311637-A1 BLOCK COPOLYMER AND SUBSTRATE PROCESSING METHOD CANON KABUSHIKI KAISHA (JP) 2009-12-17 US claimed
US-20090221487-A1 POLYETHLENE GLYCOL MODIFICATIONS OF THYMOSIN ALPHA-1 INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2009-09-03 US claimed
EP-1725553-B1 TETRAHYDROPYRIDOINDOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-05-07 EP claimed
US-7265146-B2 Integrin receptor inhibitors GENENTECH, INC. (US) 2007-09-04 US claimed
US-20070191416-A1 Tetrahydropyridoindole derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2007-08-16 US claimed
EP-1725553-A1 TETRAHYDROPYRIDOINDOLE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2006-11-29 EP claimed
EP-0846127-A1 ACYLATED OLIGOPEPTIDE DERIVATIVES HAVING CELL SIGNAL INHIBITING ACTIVITY Novartis AG (CH) 1998-06-10 EP claimed
US-5721210-A OLIGOPEPTIDES AS ANTIINFLAMMATORY AGENTS OR INTEGRIN RECEPTOR ANTAGONISTS TANABE SEIYAKU CO., LTD. (JP) 1998-02-24 US claimed
WO-1997008193-A1 ACYLATED OLIGOPEPTIDE DERIVATIVES HAVING CELL SIGNAL INHIBITING ACTIVITY NOVARTIS AG (CH) 1997-03-06 WO claimed
EP-0650476-A1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-05-03 EP claimed
WO-1994022826-A1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-13 WO claimed
EP-0538399-A4 1994-05-04 EP claimed
EP-0538399-A1 CYCLIC CELL ADHESION MODULATION COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 1993-04-28 EP claimed
WO-1992000995-A1 CYCLIC CELL ADHESION MODULATION COMPOUNDS TANABE SEIYAKU CO. LTD. (JP) 1992-01-23 WO claimed
US-4461906-A IMPROVING INTELLECTUAL CAPACITY HOFFMANN-LA ROCHE INC. (US) 1984-07-24 US claimed
US-4452807-A CENTRAL NERVOUS SYSTEM DISORDERS HOFFMANN-LA ROCHE INC. (US) 1984-06-05 US claimed

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-20090221487-A1 POLYETHLENE GLYCOL MODIFICATIONS OF THYMOSIN ALPHA-1 CD4, TMSB10, ALG1 PNMT 2131/4885NPC1 2599/4885RAB9A 554/4885
US-20100234396-A1 Tetrhydropyridoindole Derivatives TPH2, TPH1, HTR5A PNMT 53/4885NPC1 1928/4885RAB9A 1666/4885
US-20070191416-A1 Tetrahydropyridoindole derivatives TPH2, TPH1, HTR2C PNMT 17/4885NPC1 1701/4885RAB9A 2112/4885

“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.