SCHEMBL3061045

SCHEMBL3061045

c1cncc(N2CCCNCC2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 10/20 1.00
CHRNA4 P43681 10/20 1.00
CHRNA1 P02708 2/20 0.56
CHRNA7 P36544 2/20 0.56
ALDH1A1 P00352 1/20 0.54
CHRNG P07510 1/20 0.54
CHRNB1 P11230 1/20 0.54
CHRNB4 P30926 1/20 0.54
CHRNA3 P32297 1/20 0.54
CHRND Q07001 1/20 0.54
ADRB2 P07550 1/20 0.53
NCF1 P14598 1/20 0.53
PLD1 Q13393 1/20 0.53

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
SCHEMBL3065598 0.97 CHRNB2 (0.94) CHRNB2CHRNA4CHRNA1CHRNA7ALDH1A1
SCHEMBL5655866 0.97 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA1CHRNA7CHRNG
SCHEMBL6350076 0.95 CHRNB2 (0.91) CHRNB2CHRNA4CHRNA1CHRNA7ALDH1A1
SCHEMBL29507540 0.93 CHRNB2 (0.87) CHRNB2CHRNA4CHRNA7ALDH1A1CHRNB4
SCHEMBL5335 0.93 CHRNB2 (0.87) CHRNB2CHRNA4CHRNA7ALDH1A1CHRNB4
SCHEMBL3538787 0.93 CHRNB2 (0.87) CHRNB2CHRNA4CHRNA7ALDH1A1CHRNB4
Hydrochloric Acid SCHEMBL9066315 0.91 CHRNB2 (0.84) CHRNB2CHRNA4CHRNA7ALDH1A1CHRNB4
SCHEMBL30317106 0.87 CHRNB2 (0.81) CHRNB2CHRNA4CHRNA1CHRNA7CHRNG
SCHEMBL7494217 0.87 CHRNB2 (0.75) CHRNB2CHRNA4CHRNA1CHRNA7ALDH1A1
SCHEMBL6352432 0.84 CHRNB2 (0.72) CHRNB2CHRNA4CHRNA1CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2255848-A2 Pharmaceutical combinations of a nicotine receptor modulator and a cognitive enhancer NeuroSearch AS (DK) 2010-12-01 EP claimed
US-20100234349-A1 PHARMACEUTICAL COMBINATIONS OF A NICOTINE RECEPTOR MODULATOR AND A COGNITIVE ENHANCER NEUROSEARCH A/S (DK) 2010-09-16 US claimed
US-6825189-B1 TREATING WITHDRAWAL SYMPTOMS CAUSED BY SMOKING CESSATION NEUROSEARCH A/S (DK) 2004-11-30 US claimed
EP-1027336-B1 HETEROARYL DIAZACYCLOALKANES AS CHOLINERGIC LIGANDS AT NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH AS (DK) 2004-10-06 EP claimed
US-20040072823-A1 Heteroaryl diazacycloalkanes, their preparation and use; NEUROSEARCH A/S 2004-04-15 US claimed
US-10336729-B2 4-cyano-benzyl carbamimidoylcarbamate derivatives and their use as AOC3 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-07-02 US disclosed
US-20190077790-A1 4-CYANO-BENZYL CARBAMIMIDOYLCARBAMATE DERIVATIVES AND THEIR USE AS AOC3 INHIBITORS BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2019-03-14 US disclosed
EP-2050749-B1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI PHARMACEUTICAL CO LTD (JP) 2017-11-22 EP disclosed
US-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 US disclosed
EP-2255848-A2 Pharmaceutical combinations of a nicotine receptor modulator and a cognitive enhancer NeuroSearch AS (DK) 2010-12-01 EP disclosed
US-20100267739-A1 TREATMENT OF AFFECTIVE DISORDERS BY THE COMBINED ACTION OF A NICOTINIC RECEPTOR AGONIST AND A MONOAMINERGIC SUBSTANCE OLSEN GUNNAR M 2010-10-21 US disclosed
US-20100234349-A1 PHARMACEUTICAL COMBINATIONS OF A NICOTINE RECEPTOR MODULATOR AND A COGNITIVE ENHANCER NEUROSEARCH A/S (DK) 2010-09-16 US disclosed
WO-2002030405-A2 TREATMENT OF AFFECTIVE DISORDERS BY THE COMBINED ACTION OF A NICOTINIC RECEPTOR AGONIST AND A MONOAMINERGIC SUBSTANCE NEUROSEARCH A/S (DK) 2002-04-18 WO disclosed
US-20020045618-A1 Heteroaryl diazacycloalkanes, their preparation and use NEUROSEARCH A/S (DK) 2002-04-18 US disclosed
EP-1175416-A1 HETEROARYL DIAZACYCLOALKANES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2002-01-30 EP disclosed
EP-1156045-A1 AMIDE DERIVATIVES AND DRUG COMPOSITIONS Nippon Shinyaku Co., Ltd. (JP) 2001-11-21 EP disclosed
CN-1277604-A Heteroaryl diazacycloalkanes as cholinergic ligands at nicotinic acetylcholine receptors NEUROSEARCH AS (DK) 2000-12-20 CN disclosed
WO-2000064885-A1 HETEROARYL DIAZACYCLOALKANES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2000-11-02 WO disclosed
EP-1027336-A1 HETEROARYL DIAZACYCLOALKANES AS CHOLINERGIC LIGANDS AT NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2000-08-16 EP disclosed
WO-1999021834-A1 HETEROARYL DIAZACYCLOALKANES AS CHOLINERGIC LIGANDS AT NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 1999-05-06 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-20020045618-A1 Heteroaryl diazacycloalkanes, their preparation and use CHRNA5, CHRNA7, CHRNA3 CHRNB2 7/4885CHRNA4 12/4885CHRNA1 6/4885
US-20190077790-A1 4-CYANO-BENZYL CARBAMIMIDOYLCARBAMATE DERIVATIVES AND THEIR USE AS AOC3 INHIBITORS AOC3, AOC2, CBR3 CHRNB2 2452/4885CHRNA4 1764/4885CHRNA1 1669/4885
US-10336729-B2 4-cyano-benzyl carbamimidoylcarbamate derivatives and their use as AOC3 inhibitors AOC3, AOC2, CBR3 CHRNB2 2452/4885CHRNA4 1764/4885CHRNA1 1669/4885
US-20100234349-A1 PHARMACEUTICAL COMBINATIONS OF A NICOTINE RECEPTOR MODULATOR AND A COGNITIVE ENHANCER CHRNA10, CHRNA4, CHRNA5 CHRNB2 12/4885CHRNA4 2/4885CHRNA1 6/4885
US-20040072823-A1 Heteroaryl diazacycloalkanes, their preparation and use; OGFR, CBR3, OGFRL1 CHRNB2 700/4885CHRNA4 1019/4885CHRNA1 477/4885
US-20100267739-A1 TREATMENT OF AFFECTIVE DISORDERS BY THE COMBINED ACTION OF A NICOTINIC RECEPTOR AGONIST AND A MONOAMINERGIC SUBSTANCE CHRNA10, CHRNA2, CHRNA7 CHRNB2 14/4885CHRNA4 5/4885CHRNA1 10/4885

“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.