SCHEMBL998124

SCHEMBL998124

COc1ccc(C(N)CO)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 1/20 0.45
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
CHRNA7 P36544 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
SIRT6 Q8N6T7 1/20 0.39
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
OXTR P30559 1/20 0.38
P2RX3 P56373 2/20 0.38
KCNK3 O14649 2/20 0.37
CYP2A6 P11509 1/20 0.37
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36

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
SCHEMBL14480161 1.00 NNMT (0.45) NNMTMKNK1MKNK2CHRNA7KMT2A
SCHEMBL998123 1.00 NNMT (0.45) NNMTMKNK1MKNK2CHRNA7KMT2A
SCHEMBL998346 0.87 NNMT (0.42) NNMTMKNK1MKNK2CHRNA7KMT2A
SCHEMBL998349 0.87 NNMT (0.42) NNMTMKNK1MKNK2CHRNA7KMT2A
SCHEMBL14480329 0.85 MAPT (0.46) CHRNA7MAPT
SCHEMBL14480190 0.85 MAPT (0.46) CHRNA7MAPT
SCHEMBL30280689 0.85 MAPT (0.46) CHRNA7MAPT
SCHEMBL4572837 0.84 NNMT (0.42) NNMTMKNK1MKNK2CHRNA7KMT2A
SCHEMBL4168613 0.84 NNMT (0.42) NNMTMKNK1MKNK2CHRNA7KMT2A
SCHEMBL498475 0.84 NNMT (0.42) NNMTMKNK1MKNK2CHRNA7KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3372582-A1 POSITIVE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTOR H. Lundbeck A/S (DK) 2018-09-12 EP disclosed
US-20180250277-A1 POSITIVE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTOR H. LUNDBECK A/S (DK) 2018-09-06 US disclosed
EP-2729447-B1 POSITIVE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTOR H LUNDBECK AS (DK) 2018-05-30 EP disclosed
US-9889122-B2 Positive allosteric modulators of nicotinic acetylcholine receptor H. LUNDBECK A/S (DK) 2018-02-13 US disclosed
US-20170079967-A1 New Positive Allosteric Modulators or Nicotinic Acetylcholine Receptor H. LUNDBECK A/S (DK) 2017-03-23 US disclosed
US-9549919-B2 Positive allosteric modulators of nicotinic acetylcholine receptor H. LUNDBECK A/S (DK) 2017-01-24 US disclosed
EP-2136639-B1 PYRID-2-YL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2016-03-09 EP disclosed
EP-2262766-B1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2015-11-11 EP disclosed
US-20150266822-A1 Amide Compounds, Compositions And Uses Thereof RENOVIS, INC. 2015-09-24 US disclosed
US-20150231121-A1 POSITIVE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTOR H. LUNDBECK A/S (DK) 2015-08-20 US disclosed
CN-101981003-A Amide compounds, compositions and uses thereof RENOVIS INC 2011-02-23 CN disclosed
US-20110009432-A1 PYRID-2YL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2011-01-13 US disclosed
EP-2262766-A2 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF Renovis, Inc. (US) 2010-12-22 EP disclosed
CN-101677569-A 2-cyanophenyl fused heterocyclic compounds, and compositions and uses thereof RENOVIS INC 2010-03-24 CN disclosed
EP-2139334-A1 2-CYANOPHENYL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF Renovis, Inc. (US) 2010-01-06 EP disclosed
EP-2136639-A1 PYRID-2-YL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF Renovis, Inc. (US) 2009-12-30 EP disclosed
WO-2009110985-A2 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2009-09-11 WO disclosed
US-20080275037-A1 2-Cyanophenyl fused heterocyclic compounds, and compositions and uses thereof EVOTEC AG (DE) 2008-11-06 US disclosed
WO-2008130481-A1 2-CYANOPHENYL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2008-10-30 WO disclosed
WO-2008123963-A1 PYRID-2-YL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2008-10-16 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 (6 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-20180250277-A1 POSITIVE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTOR CHRNG, CHRNA7, CHRNA2 NNMT 43/4885MKNK1 1448/4885MKNK2 1391/4885
US-20110009432-A1 PYRID-2YL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF IL1B, C5, HTR2C NNMT 1699/4885MKNK1 2481/4885MKNK2 1848/4885
US-20150231121-A1 POSITIVE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTOR CHRNG, CHRNA7, CHRNA2 NNMT 43/4885MKNK1 1448/4885MKNK2 1391/4885
US-20080275037-A1 2-Cyanophenyl fused heterocyclic compounds, and compositions and uses thereof CNR2, CNR1, CBR1 NNMT 1439/4885MKNK1 2980/4885MKNK2 2506/4885
US-20170079967-A1 New Positive Allosteric Modulators or Nicotinic Acetylcholine Receptor CHRNG, CHRNA7, CHRNA1 NNMT 94/4885MKNK1 1095/4885MKNK2 1060/4885
US-20150266822-A1 Amide Compounds, Compositions And Uses Thereof IL1B, ADORA2B, AVPR1B NNMT 2205/4885MKNK1 4233/4885MKNK2 4010/4885

“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.