SCHEMBL514104

SCHEMBL514104

[CH2]OCc1ccccc1Cl

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.61
PNMT P11086 1/20 0.50
TAAR1 Q96RJ0 3/20 0.46
NR4A2 P43354 2/20 0.44
MAOB P27338 2/20 0.43
MAOA P21397 1/20 0.43
HPGD P15428 1/20 0.42
PKM P14618 1/20 0.42
MAPT P10636 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 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
SCHEMBL1145312 0.82 IDO1 (0.64) IDO1PNMTTAAR1TSHR
SCHEMBL8762708 0.80 IDO1 (0.67) IDO1PNMTTAAR1NR4A2MAOB
SCHEMBL3774965 0.80 IDO1 (0.67) IDO1PNMTTAAR1NR4A2MAOB
SCHEMBL2092714 0.77 TAAR1 (0.54) IDO1PNMTTAAR1PKM
SCHEMBL3160629 0.77 IDO1 (0.57) IDO1PNMTTAAR1NR4A2MAOB
SCHEMBL9366433 0.76 IDO1 (1.00) IDO1PNMTTAAR1
SCHEMBL11355896 0.76 IDO1 (0.61) IDO1PNMTTAAR1NR4A2MAOB
SCHEMBL10520698 0.76 IDO1 (0.61) IDO1PNMTTAAR1NR4A2MAOB
SCHEMBL7322910 0.76 IDO1 (0.61) IDO1PNMTTAAR1NR4A2MAOB
SCHEMBL9503379 0.76 IDO1 (0.61) IDO1PNMTTAAR1NR4A2MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1744755-B1 COMPOUNDS AND COMPOSITIONS AS CATHEPSIN S INHIBITORS IRM LLC (BM) 2012-12-05 EP claimed
US-8268996-B2 Compounds and compositions as cathepsin S inhibitors IRM LLC (BM) 2012-09-18 US claimed
US-20110245243-A1 COMPOUNDS AND COMPOSITIONS AS CATHEPSIN S INHIBITORS NOVARTIS AG 2011-10-06 US claimed
US-7985749-B2 Compounds and compositions as cathepsin S inhibitors NOVARTIS AG (CH) 2011-07-26 US claimed
CN-1976710-B Compounds and compositions as cathepsin S inhibitors IRM LLC 2011-03-30 CN claimed
EP-1744755-A4 COMPOUNDS AND COMPOSITIONS AS CATHEPSIN S INHIBITORS IRM LLC (BM) 2009-07-15 EP claimed
JP-2007535568-A 2007-12-06 JP claimed
US-20070232606-A1 Compounds and Compositions as Cathepsin S Inhibitors IRM LLC (BM) 2007-10-04 US claimed
CN-1976710-A Compounds and compositions as cathepsin S inhibitors IRM LLC (BM) 2007-06-06 CN claimed
EP-1744755-A2 COMPOUNDS AND COMPOSITIONS AS CATHEPSIN S INHIBITORS IRM, LLC (BM) 2007-01-24 EP claimed
WO-2005107464-A2 COMPOUNDS AND COMPOSITIONS AS CATHEPSIN S INHIBITORS IRM LLC (BM) 2005-11-17 WO claimed
US-6274715-B1 SEMISYNTHETIC MACROLIDES, USEFUL IN BACTERIAL INFECTIONS TREATMENT AND PREVENTION, HAS LESS POTENTIAL FOR DEVELOPING RESISTANCE, IMPROVED OR MODIFIED PROFILES OF DESIRED GRAM-NEGATIVE ACTIVITY ABBOTT LABORATORIES 2001-08-14 US claimed
EP-0961776-A1 TRICYCLIC ERYTHROMYCIN DERIVATIVES Abbott Laboratories (US) 1999-12-08 EP claimed
WO-1998030574-A1 TRICYCLIC ERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 1998-07-16 WO claimed
US-20240148821-A1 PHARMACEUTICAL USE OF CYCLIC PEPTIDE COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-05-09 US disclosed
EP-4316503-A1 PHARMACEUTICAL USE OF CYCLIC PEPTIDE COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-02-07 EP disclosed
CN-117279655-A Pharmaceutical use of cyclic peptide compounds 中外制药株式会社 2023-12-22 CN disclosed
WO-1998030574-A1 TRICYCLIC ERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 1998-07-16 WO disclosed
EP-0219091-B1 PYRAN DERIVATIVES AND PROCESS FOR THEIR PREPARATION BASF Aktiengesellschaft (DE) 1989-04-26 EP disclosed
EP-0219091-A2 Pyran derivatives and process for their preparation BASF Aktiengesellschaft (DE) 1987-04-22 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-20070232606-A1 Compounds and Compositions as Cathepsin S Inhibitors CTSS, CTSB, CTSF IDO1 3984/4885PNMT 4613/4885TAAR1 4732/4885
US-20240148821-A1 PHARMACEUTICAL USE OF CYCLIC PEPTIDE COMPOUND VIP, IAPP, KRAS IDO1 4638/4885PNMT 4645/4885TAAR1 4476/4885
US-20110245243-A1 COMPOUNDS AND COMPOSITIONS AS CATHEPSIN S INHIBITORS CTSS, CTSB, CTSF IDO1 3984/4885PNMT 4613/4885TAAR1 4732/4885

“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.