SCHEMBL224567

SCHEMBL224567

Nc1cccc(N2CCOCC2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.61
LMNA P02545 2/20 0.61
AGXT P21549 1/20 0.58
LGMN Q99538 2/20 0.58
KMO O15229 1/20 0.57
DHFR P00374 1/20 0.54
MAPT P10636 5/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
GAA P10253 1/20 0.53
ALDH1A1 P00352 3/20 0.51
ALOX12 P18054 1/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
CYP1A2 P05177 1/20 0.50
HTT P42858 1/20 0.50
JAK2 O60674 1/20 0.48
TP53 P04637 1/20 0.47
ALOX15 P16050 1/20 0.47

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
SCHEMBL29371026 1.00 ADRA2C (0.61) ADRA2CLMNAAGXTLGMNKMO
SCHEMBL6992774 1.00 ADRA2C (0.61) ADRA2CLMNAAGXTLGMNKMO
Hydrochloric Acid SCHEMBL14742169 0.98 ADRA2C (0.59) ADRA2CLMNAAGXTLGMNKMO
SCHEMBL14320394 0.89 AGXT (0.56) ADRA2CLMNAAGXTLGMNKMO
SCHEMBL30706470 0.89 ADRA2C (0.53) ADRA2CLMNAAGXTLGMNKMO
SCHEMBL27329825 0.87 LMNA (0.71) LMNAAGXTLGMNKMODHFR
SCHEMBL6942579 0.85 ADRA2C (0.80) ADRA2CLMNAAGXTMAPTSMN1; SMN2
SCHEMBL14320480 0.84 JAK2 (0.55) LMNAAGXTLGMNKMOMAPT
SCHEMBL521012 0.84 AOC3 (0.55) ADRA2CLMNAAGXTLGMNKMO
SCHEMBL2627250 0.83 ADRA2C (0.71) ADRA2CLMNAMAPTSMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2050749-B1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI PHARMACEUTICAL CO LTD (JP) 2017-11-22 EP claimed
CN-106152356-A A kind of band solar panels movable indoor intellectuality humidifier robot control system(RCS) and method of work thereof 徐州工程学院 2016-11-23 CN claimed
CN-104672217-A New linezolid intermediate, preparation method thereof, and linezolid synthesis method BEIJING ZHONGHE MINJIAN PHARMACEUTICAL TECHNOLOGY CO LTD 2015-06-03 CN claimed
CN-103354809-A Arylurea compound, intermediate and use thereof SHANGHAI INST PHARM INDUSTRY 2013-10-16 CN claimed
EP-2323980-B1 7-(PIPERAZINE-1-YMETHYL)-1H-INDOLE-2-CARBOXYLIC ACID (PHENYL)-AMIDE DERIVATIVES AND ALLIED COMPOUNDS AS P38 MAP KINASE INHIBITORS FOR THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INT (DE) 2012-02-29 EP claimed
JP-2012500835-A 2012-01-12 JP claimed
EP-2334637-A1 NOVEL POTASSIUM CHANNEL BLOCKERS Xention Limited (GB) 2011-06-22 EP claimed
EP-2190834-B1 PYRIDONEAMIDE DERIVATIVES AS FOCAL ADHESION KINASE (FAK) INHIBITORS AND THEIR USE FOR THE TREATMENT OF CANCER HOFFMANN LA ROCHE (CH) 2011-03-02 EP claimed
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORPORATION (US) 2010-10-07 US claimed
US-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2010-09-16 US claimed
WO-2006053227-A2 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2006-05-18 WO claimed
US-20050182050-A1 Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2005-08-18 US claimed
EP-1542982-A1 HAIR DYES COMPRISING M-PHENYLENEDIAMINE DERIVATIVES AS COUPLING COMPONENTS Henkel Kommanditgesellschaft auf Aktien (DE) 2005-06-22 EP claimed
US-6812225-B2 PYSCHOLOGICAL DISORDERS; ANTIDEPRESSANTS ASTRAZENECA AB (SE) 2004-11-02 US claimed
US-20040205903-A1 Dyeing composition comprising a cationic pyrrolidine-based para-phenylenefiamine, a tertiary para-phenylenediamine and a benzomorpholine coupler, methods and uses L'OREAL (FR) 2004-10-21 US claimed
WO-2004031164-A1 HAIR DYES COMPRISING M-PHENYLENEDIAMINE DERIVATIVES AS COUPLING COMPONENTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-04-15 WO claimed
EP-1351946-A2 MATERIALS AND METHODS TO POTENTIATE CANCER TREATMENT ICOS CORPORATION (US) 2003-10-15 EP claimed
US-20030013708-A1 Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2003-01-16 US claimed
US-20020165218-A1 Materials and methods to potentiate cancer treatment LUITPOLD PHARMACEUTICALS, INC. 2002-11-07 US claimed
WO-2002020500-A2 MATERIALS AND METHODS TO POTENTIATE CANCER TREATMENT ICOS CORPORATION (US) 2002-03-14 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 (6 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-20040205903-A1 Dyeing composition comprising a cationic pyrrolidine-based para-phenylenefiamine, a tertiary para-phenylenediamine and a benzomorpholine coupler, methods and uses CDC73, KRT18, PAH ADRA2C 1382/4885LMNA 962/4885AGXT 3199/4885
US-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE HPGDS, PTGDR, PTGIS ADRA2C 609/4885LMNA 1934/4885AGXT 2787/4885
US-20050182050-A1 Therapeutic heterocyclic compounds HTR1B, HTR1D, HTR1A ADRA2C 49/4885LMNA 1663/4885AGXT 1084/4885
US-20030013708-A1 Therapeutic heterocyclic compounds HTR1A, HTR1D, HTR1B ADRA2C 49/4885LMNA 1808/4885AGXT 943/4885
US-20020165218-A1 Materials and methods to potentiate cancer treatment DCK, CHEK2, CHEK1 ADRA2C 3732/4885LMNA 834/4885AGXT 3489/4885
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS IL2, IL4, IFNG ADRA2C 1238/4885LMNA 4101/4885AGXT 3004/4885

“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.