SCHEMBL4817372

SCHEMBL4817372

CC(C)(C)OC(=O)NC1CC1c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 7/20 0.74
MAOB P27338 2/20 0.74
SMN1; SMN2 Q16637 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
MAOA P21397 1/20 0.60
TLR2 O60603 5/20 0.53
TLR1 Q15399 5/20 0.53
HRH3 Q9Y5N1 1/20 0.48
CNR1 P21554 1/20 0.48
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
EPHX2 P34913 3/20 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
SCHEMBL29451704 1.00 KDM1A (0.74) KDM1AMAOBSMN1; SMN2NPSR1MAOA
SCHEMBL12242248 1.00 KDM1A (0.74) KDM1AMAOBSMN1; SMN2NPSR1MAOA
SCHEMBL20724191 1.00 KDM1A (0.74) KDM1AMAOBSMN1; SMN2NPSR1MAOA
SCHEMBL4817365 1.00 KDM1A (0.74) KDM1AMAOBSMN1; SMN2NPSR1MAOA
SCHEMBL16155629 1.00 KDM1A (0.74) KDM1AMAOBSMN1; SMN2NPSR1MAOA
Bicarbonate SCHEMBL16223568 0.98 KDM1A (0.72) KDM1AMAOBSMN1; SMN2NPSR1MAOA
Bicarbonate SCHEMBL13732448 0.98 KDM1A (0.72) KDM1AMAOBSMN1; SMN2NPSR1MAOA
Bicarbonate SCHEMBL13731428 0.98 KDM1A (0.72) KDM1AMAOBSMN1; SMN2NPSR1MAOA
SCHEMBL12242260 0.92 KDM1A (0.67) KDM1AMAOBSMN1; SMN2NPSR1MAOA
SCHEMBL12972001 0.89 KDM1A (0.71) KDM1AMAOBSMN1; SMN2NPSR1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200345700-A1 LSD1 INHIBITOR AND PREPARATION METHOD AND APPLICATION THEREOF MEDSHINE DISCOVERY INC. (CN) 2020-11-05 US disclosed
EP-2907802-B1 CYCLOPROPANAMINE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2019-08-07 EP disclosed
EP-3019196-B1 COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-06-06 EP disclosed
US-9751885-B2 Cyclopropanamine compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-09-05 US disclosed
US-9751885-B2 Cyclopropanamine compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-09-05 US disclosed
EP-3133059-A1 LYSINE SPECIFIC DEMETHYLASE-1 INHIBITORS AND THEIR USE Oryzon Genomics, S.A. (ES) 2017-02-22 EP disclosed
US-20150266881-A1 CYCLOPROPANAMINE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-09-24 US disclosed
US-20150266881-A1 CYCLOPROPANAMINE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-09-24 US disclosed
EP-2907802-A1 CYCLOPROPANAMINE COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2015-08-19 EP disclosed
WO-2014164867-A1 KDM1A INHIBITORS FOR THE TREATMENT OF DISEASE IMAGO BIOSCIENCES (US) 2014-10-09 WO disclosed
WO-2014164867-A1 KDM1A INHIBITORS FOR THE TREATMENT OF DISEASE IMAGO BIOSCIENCES (US) 2014-10-09 WO disclosed
WO-2014058071-A1 CYCLOPROPANAMINE COMPOUND AND USE THEREOF 武田薬品工業株式会社 (JP) 2014-04-17 WO disclosed
US-7462713-B2 Tricyclic compounds protein kinase inhibitors for enhancing the efficacy of anti-neoplastic agents and radiation therapy AGOURON PHARMACEUTICALS, INC. (US) 2008-12-09 US disclosed
US-20070135415-A1 TRICYCLIC COMPOUNDS PROTEIN KINASE INHIBITORS FOR ENHANCING THE EFFICACY OF ANTI-NEOPLASTIC AGENTS AND RADIATION THERAPY AGOURON PHARMACEUTICALS, INC. 2007-06-14 US disclosed
US-7132533-B2 Tricyclic compounds protein kinase inhibitors for enhancing the efficacy of anti-neoplastic agents and radiation therapy AGOURON PHARMACEUTICALS, INC. (US) 2006-11-07 US disclosed
US-20060004052-A1 Tricyclic compounds protein kinase inhibitors for enhancing the efficacy of anti-neoplastic agents and radiation therapy AGOURON PHARMACEUTICALS, INC. 2006-01-05 US disclosed
US-20050075499-A1 Tricyclic compounds protein kinase inhibitors for enhancing the efficacy of anti-neoplastic agents and radiation therapy AGOURON PHARMACEUTICALS, INC. 2005-04-07 US 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 (5 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-20060004052-A1 Tricyclic compounds protein kinase inhibitors for enhancing the efficacy of anti-neoplastic agents and radiation therapy CHEK1, CHEK2, CHKA KDM1A 1751/4885MAOB 4691/4885SMN1; SMN2 3667/4885
US-20150266881-A1 CYCLOPROPANAMINE COMPOUND AND USE THEREOF BHMT, HNMT, KDM1A KDM1A 3/4885MAOB 27/4885SMN1; SMN2 1111/4885
US-20050075499-A1 Tricyclic compounds protein kinase inhibitors for enhancing the efficacy of anti-neoplastic agents and radiation therapy CHEK2, CHEK1, CHKA KDM1A 1684/4885MAOB 4589/4885SMN1; SMN2 3537/4885
US-20070135415-A1 TRICYCLIC COMPOUNDS PROTEIN KINASE INHIBITORS FOR ENHANCING THE EFFICACY OF ANTI-NEOPLASTIC AGENTS AND RADIATION THERAPY CHEK1, CHEK2, CHKA KDM1A 1434/4885MAOB 4520/4885SMN1; SMN2 3786/4885
US-20200345700-A1 LSD1 INHIBITOR AND PREPARATION METHOD AND APPLICATION THEREOF KDM1B, KDM1A, KDM2A KDM1A 2/4885MAOB 141/4885SMN1; SMN2 1984/4885

“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.