SCHEMBL8549075

SCHEMBL8549075

COC(=O)c1cccc(N2CCCCC2=O)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.66
KMT2A Q03164 4/20 0.66
ALDH1A1 P00352 3/20 0.66
HPGD P15428 2/20 0.66
CYP1A2 P05177 1/20 0.66
CYP3A4 P08684 1/20 0.66
CYP2D6 P10635 1/20 0.66
CYP2C9 P11712 1/20 0.66
CYP2C19 P33261 1/20 0.66
RAB9A P51151 10/20 0.58
NPC1 O15118 10/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
TSHR P16473 1/20 0.58
GAA P10253 3/20 0.55
TDP1 Q9NUW8 1/20 0.53
POLB P06746 2/20 0.53
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.53
GFER P55789 1/20 0.53

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
SCHEMBL131169 0.89 MEN1 (0.62) MEN1KMT2AALDH1A1HPGDCYP1A2
SCHEMBL27649961 0.86 ALDH1A1 (0.66) MEN1KMT2AALDH1A1HPGDCYP1A2
SCHEMBL5810612 0.85 ALDH1A1 (0.71) MEN1KMT2AALDH1A1HPGDCYP1A2
SCHEMBL15789002 0.83 ALDH1A1 (0.94) MEN1KMT2AALDH1A1HPGDCYP1A2
SCHEMBL4195522 0.83 ALDH1A1 (0.62) ALDH1A1HPGDRAB9ANPC1SMN1; SMN2
SCHEMBL475775 0.83 MEN1 (0.56) MEN1KMT2AALDH1A1HPGDCYP1A2
SCHEMBL5219444 0.83 MEN1 (0.56) MEN1KMT2AALDH1A1HPGDCYP1A2
SCHEMBL5218801 0.82 MEN1 (0.47) MEN1KMT2AALDH1A1HPGDCYP1A2
SCHEMBL4690924 0.82 HPGD (0.61) ALDH1A1HPGDRAB9ANPC1SMN1; SMN2
SCHEMBL2645698 0.80 ALDH1A1 (0.78) MEN1KMT2AALDH1A1HPGDCYP1A2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2743256-B1 CYCLOPROPANEAMINE COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2018-06-27 EP disclosed
US-9682925-B2 Cyclopropaneamine compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-06-20 US disclosed
US-20160130215-A1 CYCLOPROPANEAMINE COMPOUND TAKEDA PHARMACEUTICAL (JP) 2016-05-12 US disclosed
US-9278931-B2 Cyclopropaneamine compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-03-08 US disclosed
US-20140228405-A1 CYCLOPROPANEAMINE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-08-14 US disclosed
EP-2743256-A1 CYCLOPROPANEAMINE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2014-06-18 EP disclosed
CN-103842332-A Cyclopropaneamine compound TAKAEDA CHEMICAL IND LTD 2014-06-04 CN disclosed
US-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2013-08-15 US disclosed
EP-0715624-B1 PROCESS FOR THE PREPARATION OF BENZODIAZEPINE COMPOUNDS USEFUL AS ANTAGONISTS OF CCK OR OF GASTRINE YAMANOUCHI PHARMA CO LTD (JP) 1998-04-08 EP disclosed
US-5728829-A MULTISTAGE REACTION OF N-PROTECTED BENZOTRIAZOLYL GLYCINE DERIVATIVE WITH AMINOKETONE, THEN REACTION WITH AMMONIA AND ACID CATALYZED CYCLIZATION FERRING-RESEARCH LIMITED (GB) 1998-03-17 US disclosed
EP-0715624-A1 PROCESS FOR THE PREPARATION OF BENZODIAZEPINE COMPOUNDS USEFUL AS ANTAGONISTS OF CCK OR OF GASTRINE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1996-06-12 EP disclosed
WO-1995006040-A1 BENZODIAZEPINE COMPOUNDS USEFUL AS ANTAGONISTS OF CCK OR OF GASTRINE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1995-03-02 WO 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-20160130215-A1 CYCLOPROPANEAMINE COMPOUND KDM1A, KDM1B, KDM3A MEN1 782/4885KMT2A 42/4885ALDH1A1 550/4885
US-20140228405-A1 CYCLOPROPANEAMINE COMPOUND KDM1A, KDM1B, KDM3A MEN1 782/4885KMT2A 42/4885ALDH1A1 550/4885
US-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH MEN1 2896/4885KMT2A 2711/4885ALDH1A1 2743/4885

“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.