SCHEMBL443555

SCHEMBL443555

COc1cc2c(cc1OC)C[N]CC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.50
KDM4E B2RXH2 4/20 0.50
MAPT P10636 2/20 0.50
ALDH1A1 P00352 2/20 0.50
GAA P10253 2/20 0.50
CYP3A4 P08684 2/20 0.48
CHRNA7 P36544 2/20 0.44
MAOB P27338 2/20 0.44
SLC6A4 P31645 1/20 0.44
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.40
RAD52 P43351 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PDE4D Q08499 1/20 0.40
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39

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
SCHEMBL8543417 0.89 MAOA (0.55) MAOAKDM4EMAPTALDH1A1GAA
SCHEMBL1706102 0.84 MAPT (0.59) MAOAKDM4EMAPTALDH1A1GAA
SCHEMBL2836833 0.79 PDE4D (0.40) MAOAKDM4EMAPTALDH1A1GAA
SCHEMBL29924708 0.77 MAPT (0.68) MAOAKDM4EMAPTALDH1A1GAA
SCHEMBL2594537 0.77 MAPT (0.68) MAOAKDM4EMAPTALDH1A1GAA
SCHEMBL14481557 0.77 MAPT (0.68) MAOAKDM4EMAPTALDH1A1GAA
SCHEMBL9404868 0.75 KDM4E (0.50) MAOAKDM4EMAPTALDH1A1GAA
SCHEMBL444147 0.75 DRD2 (0.47) KDM4EMAPTALDH1A1CHRNA7
SCHEMBL446529 0.75 DRD1 (0.50) CHRNA7
SCHEMBL5045112 0.72 MAPT (0.62) MAOAKDM4EMAPTALDH1A1GAA

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 189 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-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-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
EP-1601674-B1 Hydroxyalkyl substituted 1,3,8-triazaspiro[4.5]decan-4-one derivatives useful for the treatment of ORL-1 receptor mediated disorders JANSSEN PHARMACEUTICA NV (BE) 2012-08-08 EP claimed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 US claimed
EP-2382012-A2 PHARMACEUTICAL COMPOUNDS Bial-Portela & CA, S.A. (PT) 2011-11-02 EP claimed
US-8039474-B2 2,3,4,9-tetrahydro-1H-carbazole derivatives as CRTH2 receptor antagonists ACTELION PHARMACEUTICAL LTD. (CH) 2011-10-18 US claimed
EP-1833791-B1 2,3,4,9-TETRAHYDRO-1H-CARBAZOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-08-03 EP claimed
US-5663183-A CEREBRAL DISORDERS SYNTHELABO (FR) 1997-09-02 US claimed
US-5591737-A ELASTASE INHIBITORS MERCK & CO., INC. (US) 1997-01-07 US claimed
US-5447928-A Antiischemic agents and nervous system disorders SYNTHELABO (FR) 1995-09-05 US claimed
WO-1994010142-A1 NEW SUBSTITUTED AZETIDINONES AS ANTI-INFLAMMATORY AND ANTIDEGENERATIVE AGENTS MERCK & CO., INC. (US) 1994-05-11 WO claimed
EP-0100200-B1 2-SUBSTITUTED 4-AMINO-6,7-DIMETHOXYQUINOLINES Pfizer Limited (GB) 1987-05-06 EP claimed
US-4483859-A 4-Amino-6, 7-dimethoxy-2-(4-heteroaryl-piperazino) quinazoline _antihypertensives PFIZER INC. (US) 1984-11-20 US claimed
US-4483857-A 4-Amino-6,7-dimethoxy-2-(4-heteroaryl-piperazino)quinazoline antihypertensives PFIZER INC. (US) 1984-11-20 US claimed
US-4435401-A 4-Amino-6,7-dimethoxy-2-(4-heteroaryl-piperazino)quinazoline antihypertensives PFIZER INC. (US) 1984-03-06 US claimed
EP-0100200-A1 2-Substituted 4-amino-6,7-dimethoxyquinolines Pfizer Limited (GB) 1984-02-08 EP claimed
EP-0055583-A1 Antihypertensives Pfizer Limited (GB) 1982-07-07 EP 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 (4 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 MAOA 27/4885KDM4E 2520/4885MAPT 539/4885
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 MAOA 27/4885KDM4E 2520/4885MAPT 539/4885
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 MAOA 56/4885KDM4E 1982/4885MAPT 1705/4885
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 MAOA 27/4885KDM4E 2520/4885MAPT 539/4885

“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.