SCHEMBL3333837

SCHEMBL3333837

Nc1ccc(C2CCCN2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.50
CHRNA7 P36544 2/20 0.50
CHRNA4 P43681 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
MKNK1 Q9BUB5 1/20 0.47
MEN1 O00255 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C19 P33261 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2A6 P11509 1/20 0.44
CYP2C9 P11712 1/20 0.44
CHRM5 P08912 5/20 0.43
CHRM3 P20309 5/20 0.43
CHRM2 P08172 5/20 0.43
CHRM1 P11229 4/20 0.43
CHRM4 P08173 4/20 0.43
PARP1 P09874 3/20 0.40

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
SCHEMBL28845756 1.00 CHRNB2 (0.50) CHRNB2CHRNA7CHRNA4L3MBTL1MKNK1
SCHEMBL12478288 0.94 MEN1 (0.51) CHRNB2CHRNA7CHRNA4L3MBTL1MKNK1
Aniline SCHEMBL28196960 0.85 CHRNB2 (0.53) CHRNB2CHRNA7CHRNA4L3MBTL1MKNK1
SCHEMBL28055400 0.81 CHRNB2 (0.53) CHRNB2CHRNA7CHRNA4L3MBTL1MKNK1
SCHEMBL24775559 0.81 CHRNB2 (0.52) CHRNB2CHRNA7CHRNA4L3MBTL1MKNK1
SCHEMBL9558480 0.80 CHRNB2 (0.33) CHRNB2CHRNA7CHRNA4L3MBTL1MKNK1
SCHEMBL6557404 0.79 CHRNB2 (0.50) CHRNB2CHRNA7CHRNA4L3MBTL1MKNK1
SCHEMBL1673367 0.79 CHRNB2 (0.50) CHRNB2CHRNA7CHRNA4L3MBTL1MKNK1
SCHEMBL1780308 0.79 CHRNB2 (0.50) CHRNB2CHRNA7CHRNA4L3MBTL1MKNK1
SCHEMBL6179150 0.79 CHRNB2 (0.50) CHRNB2CHRNA7CHRNA4L3MBTL1MKNK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230192613-A1 Charged Ion Channel Blockers and Methods for Use NOCION THERAPEUTICS INC (US) 2023-06-22 US disclosed
CN-113412259-A Bifunctional compounds for the degradation of BTK via the ubiquitin proteasome pathway 紐力克斯治疗公司 2021-09-17 CN disclosed
CN-112089633-A Oxidation dyeing method 莱雅公司 2020-12-18 CN disclosed
CN-105829315-B Pyrimidopyrimidinones useful as Wee-1 kinase inhibitors 阿尔麦克探索有限公司 2019-03-08 CN disclosed
CN-106715419-A Aminotriazine derivatives as TANK-binding kinase inhibitor compounds 吉利德科学公司 2017-05-24 CN disclosed
CN-105829315-A Pyrimidopyrimidinones useful as Wee-1 kinase inhibitors 阿尔麦克探索有限公司 2016-08-03 CN disclosed
CN-104271576-A Pyridopyrimidinone inhibitors of kinases ABBVIE INC 2015-01-07 CN disclosed
CN-103703005-A Tricyclic inhibitors of kinases ABBOTT LAB 2014-04-02 CN disclosed
WO-2013043232-A2 8-ETHYL-6-(ARYL)PYRIDO [2,3-D]PYRIMIDIN-7(8H) -ONES FOR THE TREATMENT OF NERVOUS SYSTEM DISORDERS AND CANCER AFRAXIS, INC. (US) 2013-03-28 WO disclosed
US-20100144729-A1 COUMARIN DERIVATIVES NOVARTIS AG (CH) 2010-06-10 US disclosed
EP-2109606-A1 CHROMENE S1P1 RECEPTOR ANTAGONIST Novartis Ag (CH) 2009-10-21 EP disclosed
WO-2008092930-A1 CHROMENE S1P1 RECEPTOR ANTAGONIST NOVARTIS AG (CH) 2008-08-07 WO disclosed
CN-1532193-A Dimethyl-[1-(4-nitrophenyl) pyrrolidine-3-yl] amine �ź㴫 2004-09-29 CN 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-20100144729-A1 COUMARIN DERIVATIVES F3, CYP3A7, CYP3A4 CHRNB2 4228/4885CHRNA7 3419/4885CHRNA4 3962/4885
US-20230192613-A1 Charged Ion Channel Blockers and Methods for Use TRPV1, TRPV2, TRPV5 CHRNB2 163/4885CHRNA7 132/4885CHRNA4 156/4885

“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.