SCHEMBL8400708

SCHEMBL8400708

Cn1nnc(C2=CCCNC2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.66
HTR2A P28223 4/20 0.44
HTR2C P28335 2/20 0.44
HTR2B P41595 2/20 0.44
CHRM3 P20309 2/20 0.43

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
SCHEMBL8401454 0.80 CHRM2 (0.65) CHRM2HTR2AHTR2CHTR2BCHRM3
SCHEMBL6023321 0.80 CHRM2 (1.00) CHRM2CHRM3
SCHEMBL9521006 0.73 CHRM2 (0.50) CHRM2HTR2AHTR2CHTR2BCHRM3
SCHEMBL8400421 0.73 CHRM2 (0.53) CHRM2HTR2AHTR2CHTR2BCHRM3
SCHEMBL12043365 0.73 CHRM2 (0.68) CHRM2CHRM3
SCHEMBL8400217 0.72 CHRM2 (0.49) CHRM2HTR2AHTR2CHTR2BCHRM3
SCHEMBL8400773 0.72 CHRM2 (0.36) CHRM2CHRM3
SCHEMBL8400245 0.71 CHRM2 (0.68) CHRM2CHRM3
SCHEMBL8405098 0.70 CHRM2 (0.66) CHRM2HTR2AHTR2CHTR2BCHRM3
SCHEMBL7471858 0.67 CHRM2 (0.46) CHRM2HTR2AHTR2CHTR2BCHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE36374-E 1,2,3-triazole and tetrazole substituted piperidine or tetrahydropyridine compounds useful as acetylcholine agonists H. LUNDBECK, A/S (DK) 1999-11-02 US claimed
EP-0296721-B1 HETEROCYCLIC COMPOUNDS H. LUNDBECK A/S (DK) 1993-06-23 EP claimed
US-4866077-A TREATMENT OF NERVOUS SYSTEM DISORDERS SUCH AS ALZHEIMER*S DISEASE H. LUNDBECK A/S (DK) 1989-09-12 US claimed
EP-0296721-A2 Heterocyclic compounds H. LUNDBECK A/S (DK) 1988-12-28 EP claimed
JP-1022869-A None JP disclosed
WO-2012170599-A1 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION BRAINCELLS, INC. (US) 2012-12-13 WO disclosed
US-20110319386-A1 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION BRAINCELLS INC. (US) 2011-12-29 US disclosed
US-RE36374-E 1,2,3-triazole and tetrazole substituted piperidine or tetrahydropyridine compounds useful as acetylcholine agonists H. LUNDBECK, A/S (DK) 1999-11-02 US disclosed
EP-0296721-B1 HETEROCYCLIC COMPOUNDS H. LUNDBECK A/S (DK) 1993-06-23 EP disclosed
US-4925858-A NERVOUS SYSTEM DISORDERS, ALZHEIMER*S DISEASE H. LUNDBECK A/S (DK) 1990-05-15 US disclosed
US-4866077-A TREATMENT OF NERVOUS SYSTEM DISORDERS SUCH AS ALZHEIMER*S DISEASE H. LUNDBECK A/S (DK) 1989-09-12 US disclosed
EP-0296721-A2 Heterocyclic compounds H. LUNDBECK A/S (DK) 1988-12-28 EP 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-20110319386-A1 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION CHRNB2, CHAT, CHRNB4 CHRM2 15/4885HTR2A 406/4885HTR2C 660/4885

“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.