SCHEMBL15054151

SCHEMBL15054151

NC1CNCCC1c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.52
MAOA P21397 8/20 0.52
KDM1A O60341 7/20 0.52
CYP2C19 P33261 4/20 0.52
CYP2B6 P20813 3/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2D6 P10635 2/20 0.52
CYP2C9 P11712 2/20 0.52
LMNA P02545 2/20 0.52
TAAR1 Q96RJ0 2/20 0.52
CYP3A4 P08684 1/20 0.52
HTR1A P08908 1/20 0.52
ADRA2A P08913 1/20 0.52
CYP2A6 P11509 1/20 0.52
SLC6A2 P23975 1/20 0.52
HTR2C P28335 1/20 0.52
ADRA1A P35348 1/20 0.52
DRD3 P35462 1/20 0.52
SLC6A3 Q01959 1/20 0.52
KCNH2 Q12809 1/20 0.52

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
Acetic Acid SCHEMBL27904810 0.90 MAPT (0.49) MAOBMAOAKDM1ACYP2C19CYP2B6
SCHEMBL3197035 0.90 KDM1A (0.58) MAOBMAOAKDM1ACYP2C19CYP2B6
SCHEMBL3665154 0.90 KDM1A (0.58) MAOBMAOAKDM1ACYP2C19CYP2B6
SCHEMBL5160136 0.85 SLC18A3 (0.53) MAOBMAOAKDM1ACYP2C19CYP2B6
Tert-Butyl Formate SCHEMBL27801642 0.83 MAPT (0.41) MAOBMAOAKDM1ACYP2C19CYP2B6
SCHEMBL10682790 0.82 KDM1A (0.54) MAOBMAOAKDM1AADRA2ASLC6A2
SCHEMBL6438894 0.82 KDM1A (0.54) MAOBMAOAKDM1AADRA2ASLC6A2
SCHEMBL6438889 0.82 KDM1A (0.54) MAOBMAOAKDM1AADRA2ASLC6A2
SCHEMBL458289 0.82 KDM1A (0.58) MAOBMAOAKDM1ACYP2C19CYP2B6
SCHEMBL458288 0.82 KDM1A (0.58) MAOBMAOAKDM1ACYP2C19CYP2B6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10080753-B2 Heterocyclic carboxamides as modulators of kinase activity MERCK PATENT GMBH (DE) 2018-09-25 US disclosed
US-20160339028-A1 NOVEL HETEROCYCLIC CARBOXAMIDES AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2016-11-24 US disclosed
EP-2794571-B1 NOVEL HETEROCYCLIC CARBOXAMIDES AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2016-11-02 EP disclosed
US-20160058763-A1 NOVEL HETEROCYCLIC CARBOXAMIDES AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2016-03-03 US disclosed
US-9139568-B2 Heterocyclic carboxamides as modulators of kinase activity MERCK PATENT GMBH (DE) 2015-09-22 US disclosed
EP-2794571-A1 NOVEL HETEROCYCLIC CARBOXAMIDES AS MODULATORS OF KINASE ACTIVITY Merck Patent GmbH (DE) 2014-10-29 EP disclosed
US-20140309245-A1 Novel Heterocyclic Carboxamides as Modulators of Kinase Activity MERCK PATENT GMBH (DE) 2014-10-16 US disclosed
WO-2013096194-A1 NOVEL HETEROCYCLIC CARBOXAMIDES AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2013-06-27 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 (4 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-20160058763-A1 NOVEL HETEROCYCLIC CARBOXAMIDES AS MODULATORS OF KINASE ACTIVITY MAP3K19, MAP3K15, MAP3K12 MAOB 2855/4885MAOA 2788/4885KDM1A 220/4885
US-20140309245-A1 Novel Heterocyclic Carboxamides as Modulators of Kinase Activity MAP3K19, MAP3K15, MAP3K12 MAOB 2895/4885MAOA 2962/4885KDM1A 263/4885
US-10080753-B2 Heterocyclic carboxamides as modulators of kinase activity MAP3K15, MAP3K12, MAP3K11 MAOB 2914/4885MAOA 2934/4885KDM1A 300/4885
US-20160339028-A1 NOVEL HETEROCYCLIC CARBOXAMIDES AS MODULATORS OF KINASE ACTIVITY MAP3K19, MAP3K15, MAP3K12 MAOB 2895/4885MAOA 2962/4885KDM1A 263/4885

“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.