SCHEMBL732444

SCHEMBL732444

CN1CCN(c2cccnc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.59
CHRNA4 P43681 2/20 0.59
AURKA O14965 1/20 0.52
CDK4 P11802 1/20 0.52
ALDH1A1 P00352 2/20 0.51
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2D6 P10635 2/20 0.51
TSHR P16473 2/20 0.51
HSD17B10 Q99714 2/20 0.51
CLK4 Q9HAZ1 1/20 0.51

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
SCHEMBL30199895 1.00 CHRNB2 (0.59) CHRNB2CHRNA4AURKACDK4ALDH1A1
Hydrochloric Acid SCHEMBL28787385 0.98 CHRNB2 (0.57) CHRNB2CHRNA4AURKACDK4ALDH1A1
SCHEMBL6352765 0.93 CHRNB2 (0.61) CHRNB2CHRNA4AURKACDK4ALDH1A1
SCHEMBL5655570 0.93 CHRNB2 (0.61) CHRNB2CHRNA4AURKACDK4ALDH1A1
SCHEMBL20991126 0.90 HRH3 (0.52) CHRNB2CHRNA4
SCHEMBL23432691 0.89 CHRNB2 (0.56) CHRNB2CHRNA4ALDH1A1CYP1A2CYP3A4
2-Aminopyridine SCHEMBL28293021 0.85 AURKA (0.46) CHRNB2CHRNA4AURKACDK4ALDH1A1
SCHEMBL13050667 0.84 CHRNB2 (0.52) CHRNB2CHRNA4CYP3A4
SCHEMBL29354418 0.84 TRPV6 (0.57) CHRNB2CHRNA4ALDH1A1
SCHEMBL25190618 0.84 TRPV6 (0.57) CHRNB2CHRNA4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107074866-B Pyrimido-pyrrole compound, preparation method thereof, medicinal composition and application thereof 厦门大学 2019-06-07 CN claimed
CN-107074866-A Pyrimido-pyrrole compound, preparation method thereof, medicinal composition and application thereof 厦门大学 2017-08-18 CN claimed
CN-106967074-A CDK inhibitor G1治疗公司 2017-07-21 CN claimed
EP-1491532-B1 Heteroaryl diazacycloalkanes as cholinergic ligands at nicotinic acetyloholine receptors NEUROSEARCH AS (DK) 2010-12-15 EP claimed
US-6897219-B2 Heteroaryl diazacycloalkanes, their preparation and use NEUROSEARCH A/S (DK) 2005-05-24 US claimed
US-20040072823-A1 Heteroaryl diazacycloalkanes, their preparation and use; NEUROSEARCH A/S 2004-04-15 US claimed
EP-1027336-A1 HETEROARYL DIAZACYCLOALKANES AS CHOLINERGIC LIGANDS AT NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2000-08-16 EP claimed
WO-1999021834-A1 HETEROARYL DIAZACYCLOALKANES AS CHOLINERGIC LIGANDS AT NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 1999-05-06 WO claimed
EP-3705480-B1 CLASS OF AMINO-SUBSTITUTED NITROGEN-CONTAINING FUSED RING COMPOUNDS, PREPARATION METHOD THEREFOR, AND USE THEREOF SHANGHAI RINGENE BIOPHARMA CO LTD (CN) 2024-02-28 EP disclosed
US-20230203007-A1 PYRIDINYLACETAMIDE DERIVATIVES AS SODIUM CHANNEL ACTIVATORS X-CHEM GLOBAL HQ 2023-06-29 US disclosed
US-20230203007-A1 PYRIDINYLACETAMIDE DERIVATIVES AS SODIUM CHANNEL ACTIVATORS X-CHEM GLOBAL HQ 2023-06-29 US disclosed
WO-2023114188-A1 IONIZABLE LIPIDS AND COMPOSITIONS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2023-06-22 WO disclosed
WO-2023107648-A2 SYNTHESIS OF ESTER, CARBONATE, AND CARBAMATE-DERIVED NOVEL BIODEGRADABLE IONIZABLE LIPIDS FROM METHYL RICINOLEATE OR METHYL 12-HYDROXYSTEARATE AND ITS APPLICATIONS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2023-06-15 WO disclosed
US-20230109839-A1 THERAPEUTIC AGENT FOR TAUOPATHIES Sumitomo Pharma Co., Ltd. (JP) 2023-04-13 US disclosed
EP-1175416-A1 HETEROARYL DIAZACYCLOALKANES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2002-01-30 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
US-5215967-A AMINOACID DERIVATIVES INHIBITING RENIN MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-06-01 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 (3 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-20230109839-A1 THERAPEUTIC AGENT FOR TAUOPATHIES MAPT, PSEN1, PSEN2 CHRNB2 162/4885CHRNA4 132/4885AURKA 2472/4885
US-20230203007-A1 PYRIDINYLACETAMIDE DERIVATIVES AS SODIUM CHANNEL ACTIVATORS SCN1A, SCN3A, SCN2A CHRNB2 202/4885CHRNA4 166/4885AURKA 1813/4885
US-20040072823-A1 Heteroaryl diazacycloalkanes, their preparation and use; OGFR, CBR3, OGFRL1 CHRNB2 700/4885CHRNA4 1019/4885AURKA 1397/4885

“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.