SCHEMBL2564602

SCHEMBL2564602

CC(C)(C)NC(=O)OC1CC1c1ccc(N)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.37
NTMT1 Q9BV86 2/20 0.37
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RORC P51449 1/20 0.33
SLC6A2 P23975 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
MAOB P27338 2/20 0.32
MAOA P21397 1/20 0.32
TACR1 P25103 1/20 0.31
CYP19A1 P11511 1/20 0.31
BCHE P06276 1/20 0.31

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
SCHEMBL27973992 0.87 TSHR (0.38) KDM1ANTMT1ALDH1A1CYP1A2CYP3A4
SCHEMBL27970716 0.86 KDM1A (0.37) KDM1AALDH1A1CYP2C9SLC6A2MAOB
SCHEMBL27706519 0.86 TACR1 (0.42) KDM1ASLC6A2TACR1
SCHEMBL28271460 0.86 SLC6A4 (0.40) SLC6A2
SCHEMBL27891314 0.85 KDM1A (0.51) KDM1AALDH1A1RORCMAOB
SCHEMBL14673029 0.84 KDM1A (0.36) KDM1ANTMT1RORCSLC6A2MAOB
SCHEMBL27970723 0.82 SMN1; SMN2 (0.43) KDM1AALDH1A1CYP3A4
SCHEMBL14673009 0.81 NPC1 (0.41) ALDH1A1CYP2C19ADRB2ADRB1ADRB3
SCHEMBL27727840 0.80 SLC6A2 (0.33) KDM1ANTMT1SLC6A2
SCHEMBL31727845 0.79 KDM1A (0.36) KDM1AALDH1A1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103857393-B Cyclopropylamine is as LSD1 inhibitor 葛兰素史密斯克莱知识产权(第2 号)有限公司 2016-08-17 CN disclosed
EP-2560949-B1 TRANYLCYPROMINE DERIVATIVES AS INHIBITORS OF HISTONE DEMETHYLASE LSD1 AND/OR LSD2 UNIVERSIT DEGLI STUDI DI ROMA LA SAPIENZA (IT) 2015-12-02 EP disclosed
CN-102985402-B Tranylcypromine derivatives as inhibitors of histone demethylase LSD1 and/or LSD2 UNIV ROMA 2015-04-29 CN disclosed
US-8765820-B2 Tranylcypromine derivatives as inhibitors of histone demethylases LSD1 and/or LSD2 Universita Degli Studi Di Roma “La Sapienza” (IT) 2014-07-01 US disclosed
CN-103857393-A Cyclopropylamines as LSD1 inhibitors GLAXOSMITHKLINE LLC 2014-06-11 CN disclosed
CN-102985402-A Tranylcypromine derivatives as inhibitors of histone demethylase LSD1 and/or LSD2 UNIV ROMA 2013-03-20 CN disclosed
EP-2560949-A1 TRANYLCYPROMINE DERIVATIVES AS INHIBITORS OF HISTONE DEMETHYLASE LSD1 AND/OR LSD2 Università degli Studi di Roma "La Sapienza" (IT) 2013-02-27 EP disclosed
US-20130035377-A1 TRANYLCYPROMINE DERIVATIVES AS INHIBITORS OF HISTONE DEMETHYLASES LSD1 AND/OR LSD2 UNIVERSITÀ DEGLI STUDI DI ROMA "LA SAPIENZA" (IT) 2013-02-07 US disclosed
CN-102791710-A 5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine derivatives as CaMKII kinase inhibitors for treating cardiovascular diseases SANOFI AVENTIS 2012-11-21 CN disclosed
WO-2011131576-A1 TRANYLCYPROMINE DERIVATIVES AS INHIBITORS OF HISTONE DEMETHYLASE LSD1 AND/OR LSD2 UNIVERSITÀ DEGLI STUDI DI ROMA "LA SAPIENZA" (IT) 2011-10-27 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 (1 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-20130035377-A1 TRANYLCYPROMINE DERIVATIVES AS INHIBITORS OF HISTONE DEMETHYLASES LSD1 AND/OR LSD2 KDM1B, KDM2A, KDM3A KDM1A 4/4885NTMT1 538/4885ALDH1A1 1165/4885

“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.