SCHEMBL692277

SCHEMBL692277

COc1cc(F)c(Cl)cc1C=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.57
KDM4E B2RXH2 2/20 0.57
TSHR P16473 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
PRKDC P78527 2/20 0.47
ERN1 O75460 7/20 0.46
HPGD P15428 3/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
HTR2B P41595 2/20 0.41
GAA P10253 2/20 0.41
GPR55 Q9Y2T6 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP3A4 P08684 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
SCHEMBL31631787 1.00 ALDH1A1 (0.57) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL1185262 0.94 ALDH1A1 (0.59) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL4813783 0.86 ALDH1A1 (0.68) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL29950688 0.86 ALDH1A1 (0.68) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL4181333 0.85 ALDH1A1 (0.48) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL1187473 0.84 ALDH1A1 (0.65) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL7401545 0.82 ALDH1A1 (0.69) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL20488498 0.82 ALDH1A1 (0.69) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL21335513 0.81 LMNA (0.51) ALDH1A1KDM4ETSHRTDP1ERN1
SCHEMBL11044996 0.79 ALDH1A1 (0.59) ALDH1A1KDM4ETSHRTDP1PRKDC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3250549-B1 CYCLOPROPYLMETHANAMINES AS SELECTIVE 5-HT(2C) RECEPTOR AGONISTS UNIV ILLINOIS (US) 2021-06-23 EP disclosed
EP-3250549-B1 CYCLOPROPYLMETHANAMINES AS SELECTIVE 5-HT(2C) RECEPTOR AGONISTS UNIV ILLINOIS (US) 2021-06-23 EP disclosed
CN-107810175-B Cyclopropylmethylamines as selective 5-HT (2C) receptor agonists 伊利诺伊大学评议会 2021-06-15 CN disclosed
US-10407381-B2 Cyclopropylmethanamines as selective 5-HT(2C) receptor agonists THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2019-09-10 US disclosed
US-20180265453-A1 CYCLOPROPYLMETHANAMINES AS SELECTIVE 5-HT(2C) RECEPTOR AGONISTS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2018-09-20 US disclosed
EP-3250549-A1 CYCLOPROPYLMETHANAMINES AS SELECTIVE 5-HT(2C) RECEPTOR AGONISTS The Board of Trustees of the University of Illionis (US) 2017-12-06 EP disclosed
WO-2016123164-A1 CYCLOPROPYLMETHANAMINES AS SELECTIVE 5-HT(2C) RECEPTOR AGONISTS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2016-08-04 WO disclosed
WO-2016123164-A1 CYCLOPROPYLMETHANAMINES AS SELECTIVE 5-HT(2C) RECEPTOR AGONISTS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2016-08-04 WO disclosed
US-20130296551-A1 7-MEMBERED RING COMPOUND AND METHOD OF PRODUCTION AND PHARMACEUTICAL APPLICATION THEREOF DAIICHI SANKYO CO LTD (JP) 2013-11-07 US disclosed
EP-2463268-B1 4-(Aminomethyl)benzoic acids as intermediates for the preparation of chymase inhibiting 1,4-diazepan-2,5-dione compounds DAIICHI SANKYO CO LTD (JP) 2013-08-28 EP disclosed
US-7888348-B2 7-membered ring compound and method of production and pharmaceutical application thereof DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-02-15 US disclosed
CN-101160290-B 7-membered ring compound, process for producing the same, and pharmaceutical use thereof DAIICHI SANKYO CO LTD 2011-01-19 CN disclosed
WO-2010121995-A1 3,3'-SPIROINDOLINONE DERIVATIVES AND THEIR USE FOR CANCER F. HOFFMANN-LA ROCHE AG (CH) 2010-10-28 WO disclosed
US-20100273819-A1 3,3'-Spiroindolinone Derivatives CHEN LI 2010-10-28 US disclosed
US-20090253683-A1 7-MEMBERED RING COMPOUND AND METHOD OF PRODUCTION AND PHARMACEUTICAL APPLICATION THEREOF ASUBIO PHARMA CO., LTD (JP) 2009-10-08 US disclosed
CN-101495463-A Seven-membered ring compound, production method thereof and pharmaceutical use thereof ASUBIO PHARMA CO LTD (JP) 2009-07-29 CN disclosed
US-20090111796-A1 7-membered ring compound and method of production and pharmaceutical application thereof DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-04-30 US disclosed
EP-2025672-A1 SEVEN-MEMBERED RING COMPOUND, PRODUCTION METHOD THEREOF AND PHARMACEUTICAL USE THEREOF Asubio Pharma Co., Ltd. (JP) 2009-02-18 EP disclosed
CN-101160290-A 7-membered ring compound, process for producing the same, and pharmaceutical use thereof ASUBIO PHARMA CO LTD (JP) 2008-04-09 CN disclosed
EP-1820798-A1 7-MEMBERED RING COMPOUND, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL USE THEREOF Asubio Pharma Co., Ltd. (JP) 2007-08-22 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 (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-10407381-B2 Cyclopropylmethanamines as selective 5-HT(2C) receptor agonists HTR2C, HTR2A, HTR1A ALDH1A1 1876/4885KDM4E 2708/4885TSHR 301/4885
US-20090111796-A1 7-membered ring compound and method of production and pharmaceutical application thereof CMA1, CPA3, SI ALDH1A1 1889/4885KDM4E 3685/4885TSHR 3978/4885
US-20180265453-A1 CYCLOPROPYLMETHANAMINES AS SELECTIVE 5-HT(2C) RECEPTOR AGONISTS HTR2C, HTR2A, HTR1A ALDH1A1 1876/4885KDM4E 2708/4885TSHR 301/4885
US-20100273819-A1 3,3'-Spiroindolinone Derivatives SIK3, RB1, CCND3 ALDH1A1 1228/4885KDM4E 2172/4885TSHR 1695/4885
US-20130296551-A1 7-MEMBERED RING COMPOUND AND METHOD OF PRODUCTION AND PHARMACEUTICAL APPLICATION THEREOF CMA1, CPA3, SI ALDH1A1 1889/4885KDM4E 3685/4885TSHR 3978/4885
US-20090253683-A1 7-MEMBERED RING COMPOUND AND METHOD OF PRODUCTION AND PHARMACEUTICAL APPLICATION THEREOF CMA1, CPA3, SI ALDH1A1 1889/4885KDM4E 3685/4885TSHR 3978/4885

“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.