SCHEMBL1856487

SCHEMBL1856487

CCn1cc(C(=O)CC#N)c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.59
TSHR P16473 2/20 0.58
KMT2A Q03164 2/20 0.58
ALDH1A1 P00352 6/20 0.54
LMNA P02545 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
KDM4E B2RXH2 3/20 0.51
GALR3 O60755 1/20 0.51
RAB9A P51151 1/20 0.51
STAT3 P40763 1/20 0.49
HTT P42858 1/20 0.48
CNR2 P34972 1/20 0.48
HK1 P19367 1/20 0.47
HKDC1 Q2TB90 1/20 0.47
MAPT P10636 1/20 0.46

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
SCHEMBL28709465 0.87 CNR2 (0.62) CNR2
SCHEMBL28706588 0.85 CNR2 (0.68) CNR2
SCHEMBL29426298 0.83 L3MBTL1 (0.69) TSHRKMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL20838611 0.83 L3MBTL1 (0.69) TSHRKMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL16979075 0.83 KMT2A (0.75) NR4A2TSHRKMT2AALDH1A1LMNA
SCHEMBL20838602 0.82 ALDH1A1 (0.66) NR4A2TSHRKMT2AALDH1A1LMNA
SCHEMBL29426296 0.82 ALDH1A1 (0.66) NR4A2TSHRKMT2AALDH1A1LMNA
SCHEMBL14159256 0.80 NR4A2 (0.71) NR4A2KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL2429622 0.79 NR4A2 (0.69) NR4A2KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL13564517 0.79 NR4A2 (0.69) NR4A2KMT2AALDH1A1LMNASMN1; SMN2

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
EP-2118067-B1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS SIENA BIOTECH SPA (IT) 2013-05-08 EP disclosed
CN-101679287-B Nicotinic acetylcholine receptor modulators SIENA BIOTECH SPA 2013-03-27 CN disclosed
US-8163729-B2 Modulators of α7 nicotinic acetylcholine receptors and therapeutic uses thereof WYETH (US) 2012-04-24 US disclosed
EP-2323988-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS Wyeth LLC (US) 2011-05-25 EP disclosed
US-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS WYETH (US) 2010-05-27 US disclosed
CN-101679287-A nicotinic acetylcholine receptor modulators SIENA BIOTECH SPA 2010-03-24 CN disclosed
US-20100029606-A1 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF WYETH (US) 2010-02-04 US disclosed
WO-2010009290-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS WYETH (US) 2010-01-21 WO disclosed
EP-2118067-A1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS Siena Biotech S.p.A. (IT) 2009-11-18 EP disclosed
WO-2008087529-A1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS SIENA BIOTECH S.P.A. (IT) 2008-07-24 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 (2 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-20100029606-A1 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF CHRNA7, CHRNA2, CHRNA6 NR4A2 436/4885TSHR 490/4885KMT2A 2721/4885
US-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS CHRNA7, CHRNA6, CHRNA2 NR4A2 482/4885TSHR 410/4885KMT2A 2452/4885

“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.