SCHEMBL315053

SCHEMBL315053

COc1cc[c]cc1OC1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 14/20 0.48
PDE4B Q07343 14/20 0.44
PDE4D Q08499 12/20 0.44
PDE4C Q08493 11/20 0.44
POLB P06746 1/20 0.43
CYP3A4 P08684 2/20 0.41
VEGFA P15692 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX15 P16050 1/20 0.41
CREBBP Q92793 1/20 0.41
MAPK14 Q16539 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PDE5A O76074 1/20 0.41
TNF P01375 1/20 0.41
MAPK1 P28482 1/20 0.41
BLM P54132 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
SCHEMBL2885764 0.97 PDE4A (0.44) PDE4APDE4BPDE4DPDE4CPOLB
SCHEMBL2887418 0.93 PDE4A (0.44) PDE4APDE4BPDE4DPDE4CPOLB
SCHEMBL12486463 0.93 PDE4A (0.40) PDE4APDE4BPDE4DPDE4CPOLB
SCHEMBL8492806 0.92 PDE4A (0.43) PDE4APDE4BPDE4DPDE4CPOLB
SCHEMBL2887724 0.89 CSNK2A1 (0.37) PDE4APDE4BPDE4DPDE4CCYP3A4
SCHEMBL12486421 0.86 PDE4A (0.36) PDE4APDE4BPDE4DPDE4CPOLB
SCHEMBL17710554 0.85 CSNK2A1 (0.33) PDE4A
SCHEMBL28757119 0.80 PDE4D (0.44) PDE4APDE4BPDE4DPDE4C
SCHEMBL8594006 0.80 PDE4D (0.48) PDE4APDE4BPDE4DPDE4C
SCHEMBL2483005 0.79 HTR1A (0.43) PDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190070149-A1 PRIMARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2019-03-07 US claimed
US-9328107-B2 Primary amines and derivatives thereof as modulators of the 5-HT2A serotonin receptor useful for the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2016-05-03 US claimed
EP-2146968-B1 UREA DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS PROBIODRUG AG (DE) 2015-09-23 EP claimed
EP-2018371-B1 PRIMARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2015-03-04 EP claimed
US-20140235622-A1 PRIMARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2014-08-21 US claimed
US-8809010-B2 Method for prophylactic treatment of alzheimer's disease using inhibitors of glutaminyl cyclase and glutamate cyclases PROBIODRUG AG (DE) 2014-08-19 US claimed
US-8664258-B2 Primary amines and derivatives thereof as modulators of the 5-HT2A serotonin receptor useful for the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2014-03-04 US claimed
US-8399466-B2 Composition for regenerative treatment of cartilage disease MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-03-19 US claimed
US-8338120-B2 Anticancer agents; therapy for infections; administering glutaminyl cyclase inhibitor such as 1-(3-(1H-imidazole-1-yl)propyl)-3-(3,4-dimethoxy-phenyl)thiourea hydrochloride; Alzheimer's disease; Down syndrome; controlling fertility; schizophrenia; skin disorders; dementia PROBIODRUG AG (DE) 2012-12-25 US claimed
US-20120270861-A1 Primary Amines And Derivatives Thereof As Modulators Of The 5-HT2A Serotonin Receptor Useful For The Treatment Of Disorders Related Thereto ARENA PHARMACEUTICALS, INC. 2012-10-25 US claimed
WO-1998024763-A2 IMMUNOTHERAPEUTIC IMIDES/AMIDES AS PDE IV AND TNF INHIBITORS CELGENE CORPORATION (US) 1998-06-11 WO claimed
US-5703098-A INHIBITORS OF CYTOKINES INCLUDING TUMOR NECROSIS FACTOR CELGENE CORPORATION (US) 1997-12-30 US claimed
EP-0785927-A4 NOVEL BENZOXAZOLES EURO CELTIQUE SA (LU) 1997-12-29 EP claimed
JP-H09510691-A 1997-10-28 JP claimed
US-5665737-A PHOSPHODIESTERASE INHIBITORS EURO-CELTIQUE, S.A. (LU) 1997-09-09 US claimed
EP-0785927-A1 NOVEL BENZOXAZOLES Euroceltique S.A. (LU) 1997-07-30 EP claimed
US-5608070-A ENZYME INHIBITOR; ANTIINFLAMMATORY, BRONCHODILATOR AGENTS CELLTECH THERAPEUTICS LIMITED (GB) 1997-03-04 US claimed
EP-0736010-A1 AN ENANTIOSELECTIVE PROCESS FOR THE PREPARATION OF CHIRAL TRIARYL DERIVATIVES AND CHIRAL INTERMEDIATES FOR USE THEREIN CELLTECH THERAPEUTICS LIMITED (GB) 1996-10-09 EP claimed
WO-1996011917-A1 NOVEL BENZOXAZOLES EURO-CELTIQUE, S.A. (LU) 1996-04-25 WO claimed
WO-1995017386-A1 AN ENANTIOSELECTIVE PROCESS FOR THE PREPARATION OF CHIRAL TRIARYL DERIVATIVES AND CHIRAL INTERMEDIATES FOR USE THEREIN CELLTECH THERAPEUTICS LIMITED (GB) 1995-06-29 WO 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-20140235622-A1 PRIMARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO HTR5A, HTR2A, HTR1A PDE4A 546/4885PDE4B 721/4885PDE4D 654/4885
US-20190070149-A1 PRIMARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO HTR5A, HTR2A, HTR1A PDE4A 546/4885PDE4B 721/4885PDE4D 654/4885
US-20120270861-A1 Primary Amines And Derivatives Thereof As Modulators Of The 5-HT2A Serotonin Receptor Useful For The Treatment Of Disorders Related Thereto HTR5A, HTR2A, HTR1A PDE4A 546/4885PDE4B 721/4885PDE4D 654/4885

“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.