SCHEMBL2215725

SCHEMBL2215725

NC1CCN(C(=O)CO)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.44
MAOA P21397 1/20 0.44
GNAI3 P08754 1/20 0.42
GNAO1 P09471 1/20 0.42
GNAI1 P63096 1/20 0.42
CACNA1B Q00975 2/20 0.39
DPP4 P27487 2/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
RORC P51449 2/20 0.35
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
GHSR Q92847 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.34
MCHR1 Q99705 1/20 0.34
JAK2 O60674 2/20 0.34
JAK3 P52333 2/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34

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
SCHEMBL2440877 1.00 KDM1A (0.44) KDM1AMAOAGNAI3GNAO1GNAI1
SCHEMBL3398489 1.00 KDM1A (0.44) KDM1AMAOAGNAI3GNAO1GNAI1
SCHEMBL3428769 0.88 ALDH1A1 (0.43) KDM1AMAOADPP4ALDH1A1LMNA
SCHEMBL2439450 0.87 GNAI3 (0.53) KDM1AGNAI3GNAO1GNAI1CACNA1B
Hydrochloric Acid SCHEMBL1062724 0.85 GNAI3 (0.56) KDM1AGNAI3GNAO1GNAI1CACNA1B
SCHEMBL2215721 0.83 KDM1A (0.44) KDM1AMAOAGNAI3GNAO1GNAI1
SCHEMBL3401470 0.82
SCHEMBL13673414 0.82 ALDH1A1 (0.55) KDM1AMAOAGNAI3GNAO1GNAI1
SCHEMBL3403317 0.82 GNAI3 (0.49) KDM1AMAOAGNAI3GNAO1GNAI1
Hydrochloric Acid SCHEMBL15808647 0.82 GNAI3 (0.45) KDM1AMAOAGNAI3GNAO1GNAI1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1641764-B1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS NOVARTIS AG (CH) 2011-07-27 EP claimed
US-20050049288-A1 5-MEMBERED HETEROCYCLE-BASED p38 KINASE INHIBITORS MEREO BIOPHARMA 1 LIMINTED (GB) 2005-03-03 US claimed
EP-2079727-B1 KINASE INHIBITOR COMPOUNDS XCOVERY INC (US) 2016-02-17 EP disclosed
US-8524709-B2 Kinase inhibitor compounds TYROGENEX, INC. (US) 2013-09-03 US disclosed
US-8524709-B2 Kinase inhibitor compounds TYROGENEX, INC. (US) 2013-09-03 US disclosed
US-8524709-B2 Kinase inhibitor compounds TYROGENEX, INC. (US) 2013-09-03 US disclosed
US-20120115866-A1 KINASE INHIBITOR COMPOUNDS TYROGENEX, INC. (US) 2012-05-10 US disclosed
US-20120115866-A1 KINASE INHIBITOR COMPOUNDS TYROGENEX, INC. (US) 2012-05-10 US disclosed
US-20120115866-A1 KINASE INHIBITOR COMPOUNDS TYROGENEX, INC. (US) 2012-05-10 US disclosed
US-8039470-B2 Kinase inhibitor compounds TYROGENEX, INC. (US) 2011-10-18 US disclosed
US-8039470-B2 Kinase inhibitor compounds TYROGENEX, INC. (US) 2011-10-18 US disclosed
US-20100261665-A1 Kinase inhibitor compounds XCOVERY, INC. (US) 2010-10-14 US disclosed
US-20100261665-A1 Kinase inhibitor compounds XCOVERY, INC. (US) 2010-10-14 US disclosed
US-20100261665-A1 Kinase inhibitor compounds XCOVERY, INC. (US) 2010-10-14 US disclosed
US-7683057-B2 5-[5-fluoro-2-oxo-1,2-dihydro-indol-(3Z)-ylidenemethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid (1-acetyl-piperidin-4-yl)-amide; inhibition of 5' AMP-activated protein kinase (AMPK) TYROGENEX, INC. (US) 2010-03-23 US disclosed
US-7683057-B2 5-[5-fluoro-2-oxo-1,2-dihydro-indol-(3Z)-ylidenemethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid (1-acetyl-piperidin-4-yl)-amide; inhibition of 5' AMP-activated protein kinase (AMPK) TYROGENEX, INC. (US) 2010-03-23 US disclosed
US-7683057-B2 5-[5-fluoro-2-oxo-1,2-dihydro-indol-(3Z)-ylidenemethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid (1-acetyl-piperidin-4-yl)-amide; inhibition of 5' AMP-activated protein kinase (AMPK) TYROGENEX, INC. (US) 2010-03-23 US disclosed
US-20090076005-A1 Kinase inhibitor compounds XCOVERY, INC. (US) 2009-03-19 US disclosed
US-20090076005-A1 Kinase inhibitor compounds XCOVERY, INC. (US) 2009-03-19 US disclosed
US-20090076005-A1 Kinase inhibitor compounds XCOVERY, INC. (US) 2009-03-19 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 (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-20090076005-A1 Kinase inhibitor compounds MAP3K1, MAP3K20, MAP3K2 KDM1A 1224/4885MAOA 2802/4885GNAI3 598/4885
US-20120115866-A1 KINASE INHIBITOR COMPOUNDS MAP3K1, MAP3K20, MAP3K2 KDM1A 1224/4885MAOA 2802/4885GNAI3 598/4885
US-20050049288-A1 5-MEMBERED HETEROCYCLE-BASED p38 KINASE INHIBITORS MAPK1, MAP3K1, MAP3K8 KDM1A 3030/4885MAOA 3559/4885GNAI3 652/4885
US-20100261665-A1 Kinase inhibitor compounds MAP3K1, MAP3K20, MAP3K2 KDM1A 1224/4885MAOA 2802/4885GNAI3 598/4885

“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.