SCHEMBL3021140

SCHEMBL3021140

C1=C2CNCC2CN1Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.38
FUCA1 P04066 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33

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
SCHEMBL5540890 0.74 SIGMAR1 (0.46) SIGMAR1FUCA1
SCHEMBL1749081 0.70 GSK3A (0.40) FUCA1GSK3AGSK3BHPGDTSHR
SCHEMBL28263243 0.69 SIGMAR1 (0.38) SIGMAR1FUCA1GSK3AGSK3BHPGD
SCHEMBL4692053 0.69 ALDH1A1 (0.39) SIGMAR1FUCA1HPGDTSHR
SCHEMBL12821980 0.67 ALDH1A1 (0.37) SIGMAR1FUCA1
SCHEMBL10409230 0.66 FUCA1 (0.50) SIGMAR1FUCA1HPGDTSHR
SCHEMBL18340055 0.65
SCHEMBL2792699 0.64 NISCH (0.41) SIGMAR1FUCA1CHRM2CHRM4CHRM5
SCHEMBL1044027 0.63 SIGMAR1 (0.52) SIGMAR1FUCA1GSK3AGSK3B
Hydrochloric Acid SCHEMBL2268301 0.62 SIGMAR1 (0.43) SIGMAR1FUCA1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102838605-B Nicotinic acetylcholine receptor sub-type selective amides of diazabicycloalkanes 塔加西普特公司 2017-04-26 CN disclosed
EP-2780342-A1 AMINOQUINAZOLINE DERIVATIVES AND THEIR SALTS AND METHODS OF USE Sunshine Lake Pharma Co., Ltd. (CN) 2014-09-24 EP disclosed
WO-2013071697-A1 AMINOQUINAZOLINE DERIVATIVES AND THEIR SALTS AND METHODS OF USE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2013-05-23 WO disclosed
US-20100204224-A1 AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC SODIUM CHANNELS VERNALIS R & D LIMITED (GB) 2010-08-12 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 (1 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-20100204224-A1 AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC SODIUM CHANNELS SCN1B, SCN2B, SCN1A SIGMAR1 160/4885FUCA1 4283/4885CHRM2 426/4885

“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.