SCHEMBL9853963

SCHEMBL9853963

O=C(O)c1cccc(Cn2ccnc2)c1

nearest known ligand 0.80

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.80
TBXAS1 P24557 4/20 0.71
CYP11B1 P15538 8/20 0.64
CYP11B2 P19099 8/20 0.64
AGTR2 P50052 2/20 0.63
CYP1A2 P05177 1/20 0.61
POLB P06746 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
MAPT P10636 1/20 0.61
QPCT Q16769 1/20 0.61
CYP4Z1 Q86W10 1/20 0.61
QPCTL Q9NXS2 1/20 0.61
ADRA2C P18825 1/20 0.60
HTT P42858 1/20 0.59

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
SCHEMBL5478998 0.87 CYP19A1 (0.73) CYP19A1TBXAS1CYP11B1CYP11B2AGTR2
SCHEMBL24247782 0.85 CYP19A1 (0.70) CYP19A1TBXAS1CYP11B1CYP11B2AGTR2
SCHEMBL20646872 0.83 CYP19A1 (0.68) CYP19A1TBXAS1CYP11B1CYP11B2AGTR2
SCHEMBL10531228 0.83 TBXAS1 (1.00) CYP19A1TBXAS1
SCHEMBL394308 0.82 CYP11B1 (0.83) CYP19A1TBXAS1CYP11B1CYP11B2CYP1A2
Hydrochloric Acid SCHEMBL10671782 0.82 TBXAS1 (0.97) CYP19A1TBXAS1
SCHEMBL11377854 0.82 CYP19A1 (0.73) CYP19A1TBXAS1
SCHEMBL4492287 0.81 CYP19A1 (0.75) CYP19A1TBXAS1CYP11B1CYP11B2CYP1A2
SCHEMBL27993981 0.81 CYP19A1 (0.65) CYP19A1TBXAS1CYP11B1CYP11B2AGTR2
SCHEMBL29865385 0.81 HTT (0.65) CYP19A1POLBCYP2D6HTT

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 9 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
CN-103842332-B Cyclopropylamine compound 武田药品工业株式会社 2016-08-17 CN 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
EP-0425134-A1 Condensed pyrrolo derivatives, process for their preparation and pharmaceutical compositions containing them YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1991-05-02 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 (2 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 CYP19A1 170/4885TBXAS1 2264/4885CYP11B1 226/4885
US-20140228405-A1 CYCLOPROPANEAMINE COMPOUND KDM1A, KDM1B, KDM3A CYP19A1 170/4885TBXAS1 2264/4885CYP11B1 226/4885

“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.