SCHEMBL1032029

SCHEMBL1032029

C[C@@H](C(=O)Cl)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.52
CYP2D6 P10635 1/20 0.46
SRC P12931 1/20 0.46
FAAH O00519 1/20 0.46
LMNA P02545 3/20 0.44
GRM7 Q14831 2/20 0.44
MAPK1 P28482 2/20 0.44
BCHE P06276 1/20 0.44
HTR1A P08908 1/20 0.44
ADRB3 P13945 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
DRD3 P35462 1/20 0.44
HTR2B P41595 1/20 0.44
HTR6 P50406 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 2/20 0.44
PTGS1 P23219 2/20 0.44
CXCR1 P25024 2/20 0.44
CXCR2 P25025 2/20 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
SCHEMBL1031020 1.00 PTGS2 (0.52) PTGS2CYP2D6SRCFAAHLMNA
SCHEMBL720886 1.00 PTGS2 (0.52) PTGS2CYP2D6SRCFAAHLMNA
Methane SCHEMBL28012032 0.98 PTGS2 (0.50) PTGS2CYP2D6SRCFAAHLMNA
Chloroform SCHEMBL28253811 0.96 PTGS2 (0.48) PTGS2CYP2D6SRCFAAHLMNA
SCHEMBL9257901 0.87 PTGS2 (0.46) PTGS2FAAHLMNAADRB3HTR2A
SCHEMBL10980506 0.84 PTGS1 (0.47) PTGS2CYP2D6LMNAMAPK1MAPT
SCHEMBL8956391 0.84 PTGS2 (0.61) PTGS2LMNAADRB3HTR2APTGS1
SCHEMBL7158203 0.82 PTGS1 (0.47) PTGS2CYP2D6LMNAMAPK1HTR2C
SCHEMBL23581099 0.80 PTGS2 (0.75) PTGS2CYP2D6SRCLMNAMAPK1
SCHEMBL3418 0.80 PTGS2 (0.75) PTGS2CYP2D6SRCLMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101490004-B Derivatives of 1-phenyl-2-pyridynyl alkylene alcohols as phosphodiesterase inhibitors CHIESI FARMA SPA 2012-01-11 CN disclosed
US-7910611-B2 Therapeutic agent for restenosis KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-03-22 US disclosed
EP-2044023-B1 DERIVATIVES OF 1-PHENYL-2-PYRIDYNYL ALKYLENE ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMA SPA (IT) 2011-01-19 EP disclosed
US-7671066-B2 Derivatives of 1-phenyl-2-pyridynyl alkylene alcohols as phosphodiesterase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2010-03-02 US disclosed
US-20100029625-A1 Therapeutic Agent for Restenosis KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-02-04 US disclosed
CN-101490004-A Derivatives of 1-phenyl-2-pyridynyl alkylene alcohols as phosphodiesterase inhibitors CHIESI FARMA S P A (IT) 2009-07-22 CN disclosed
EP-2044023-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDYNYL ALKYLENE ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMACEUTICI S.p.A. (IT) 2009-04-08 EP disclosed
US-20080262049-A1 Therapeutic Agent for Hematopoietic Tumor KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-10-23 US disclosed
WO-2008119734-A2 PROCESS FOR THE MANUFACTURE OF ORGANIC COMPOUNDS NOVARTIS AG (CH) 2008-10-09 WO disclosed
US-20080194653-A1 Therapeutic Agent For Solid Tumor KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-08-14 US disclosed
US-6323212-B1 METHOD FOR REDUCING PAIN, WHICH COMPRISES ADMINISTERING AN EFFECTIVE ANALGESIC AMOUNT OF THE MORPHINAN DERIVATIVE TORAY INDUSTRIES, INC. (JP) 2001-11-27 US disclosed
US-6277859-B1 HIGHLY SELECTIVE KAPPA-OPIOID AGONISTS USEFUL AS ANALGESICS AND DIURETICS WITH REDUCED PHYSIOLOGICAL SIDE EFFECTS TORAY INDUSTRIES, INC. (JP) 2001-08-21 US disclosed
US-6177438-B1 ANALGESICS, DIURETICS, ANTITUSSIVE AGENTS TORAY INDUSTRIES, INC. (JP) 2001-01-23 US disclosed
EP-0577847-B1 MORPHINAN DERIVATIVE AND MEDICINAL USE TORAY INDUSTRIES (JP) 1998-10-14 EP disclosed
EP-0846694-A1 Morphinan derivative and its pharmaceutical applications TORAY INDUSTRIES, INC. (JP) 1998-06-10 EP disclosed
EP-0768303-A1 OPTICALLY ACTIVE QUINOLINECARBOXYLIC ACID DERIVATIVE AND PROCESS FOR PRODUCING THE SAME NIPPON SHINYAKU COMPANY, LIMITED (JP) 1997-04-16 EP disclosed
EP-0663401-A1 MORPHINAN DERIVATIVE AND MEDICINAL USE TORAY INDUSTRIES, INC. (JP) 1995-07-19 EP disclosed
EP-0577847-A1 MORPHINAN DERIVATIVE AND MEDICINAL USE TORAY INDUSTRIES, INC. (JP) 1994-01-12 EP disclosed
EP-0063731-B1 PROCESS FOR PREPARING OPTICALLY ACTIVE CARBOXYLIC ACIDS BASF Aktiengesellschaft (DE) 1984-07-04 EP disclosed
EP-0063731-A1 Process for preparing optically active carboxylic acids BASF Aktiengesellschaft (DE) 1982-11-03 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-20080262049-A1 Therapeutic Agent for Hematopoietic Tumor HCLS1, THPO, CSF3R PTGS2 2443/4885CYP2D6 1124/4885SRC 365/4885
US-20080194653-A1 Therapeutic Agent For Solid Tumor HRH3, TP53, VHL PTGS2 1416/4885CYP2D6 501/4885SRC 455/4885
US-20100029625-A1 Therapeutic Agent for Restenosis NR1H2, NR1H3, LDLR PTGS2 458/4885CYP2D6 2738/4885SRC 1367/4885

“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.