SCHEMBL4827592

SCHEMBL4827592

NC1CCN(c2ccc(Cl)nc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 7/20 0.56
▸ CHRNA4 P43681 7/20 0.56
▸ CHRNB4 P30926 6/20 0.56
▸ CHRNA3 P32297 6/20 0.56
▸ HTR3E A5X5Y0 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ HTR3B O95264 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ HTR3A P46098 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ HTR3D Q70Z44 1/20 0.49
▸ HTR3C Q8WXA8 1/20 0.49
▸ AKR1C3 P42330 1/20 0.48
▸ POLB P06746 1/20 0.44

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
Hydrochloric Acid SCHEMBL2001078 0.98 CHRNB2 (0.55) CHRNB2CHRNA4CHRNB4CHRNA3HTR3E
SCHEMBL1506494 0.92 CHRNB2 (0.58) CHRNB2CHRNA4CHRNB4CHRNA3HTR3E
SCHEMBL29998481 0.83 CHRNB4 (0.61) CHRNB2CHRNA4CHRNB4CHRNA3AKR1C3
SCHEMBL4827560 0.82 CHRNB4 (0.67) CHRNB2CHRNA4CHRNB4CHRNA3POLB
SCHEMBL4825516 0.82 GPR119 (0.43) CHRNB2CHRNA4CHRNB4CHRNA3MEN1
SCHEMBL4826795 0.82 CHRNB2 (0.55) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL4827617 0.82 CHRNB2 (0.55) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL4828961 0.82 CHRNB2 (0.55) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL2687238 0.81 ACVR1 (0.44) CHRNB2CHRNA4HTR3EMEN1HTR3B
SCHEMBL13768976 0.81 HRH3 (0.46) CHRNB2CHRNA4CHRNB4CHRNA3HTR3E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080090798-A1 Heterocyclic Substituted Aminoazacycles Useful as Central Nervous System Agents ABBOTT LABORATORIES (US) 2008-04-17 — — US claimed
CN-1192028-C Heterocyclic substituted amino nitrogen heterocycles as central nervous system medicaments ABBOTT INC (US) 2005-03-09 — — CN claimed
US-20050043291-A1 Heterocyclic substituted aminoazacycles useful as central nervous system agents ABBVIE INC. 2005-02-24 — — US claimed
EP-1428824-A1 Heterocyclic substituted aminoazacycles useful as central nervous system agents ABBOTT LABORATORIES (US) 2004-06-16 — — EP claimed
CN-1361774-A Heterocyclic substituted amino nitrogen heterocycles as central nervous system medicaments ABBOTT INC (US) 2002-07-31 — — CN claimed
US-20080090798-A1 Heterocyclic Substituted Aminoazacycles Useful as Central Nervous System Agents ABBOTT LABORATORIES (US) 2008-04-17 — — US disclosed
US-7332504-B2 Heterocyclic substituted aminoazacycles useful as central nervous system agents ABBOTT LABORATORIES (US) 2008-02-19 — — US disclosed
CN-1636990-A Heterocyclic substituted aminoazacycles useful as central nervous system agents ABBOTT LAB (US) 2005-07-13 — — CN disclosed
CN-1192028-C Heterocyclic substituted amino nitrogen heterocycles as central nervous system medicaments ABBOTT INC (US) 2005-03-09 — — CN disclosed
US-20050043291-A1 Heterocyclic substituted aminoazacycles useful as central nervous system agents ABBVIE INC. 2005-02-24 — — US disclosed
US-6833370-B1 Selectively controlling neurotransmitter release; such as n-((3)-1-(6-chloro-3-pyridinyl)pyrrolidinyl)-n-methylamine ABBOTT LABORATORIES 2004-12-21 — — US disclosed
EP-1428824-A1 Heterocyclic substituted aminoazacycles useful as central nervous system agents ABBOTT LABORATORIES (US) 2004-06-16 — — EP disclosed
CN-1361774-A Heterocyclic substituted amino nitrogen heterocycles as central nervous system medicaments ABBOTT INC (US) 2002-07-31 — — CN disclosed
EP-1178982-A1 HETEROCYCLIC SUBSTITUTED AMINOAZACYCLES USEFUL AS CENTRAL NERVOUS SYSTEM AGENTS ABBOTT LABORATORIES (US) 2002-02-13 — — EP disclosed
WO-2000071534-A1 HETEROCYCLIC SUBSTITUTED AMINOAZACYCLES USEFUL AS CENTRAL NERVOUS SYSTEM AGENTS ABBOTT LABORATORIES (US) 2000-11-30 — — 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 (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-20080090798-A1 Heterocyclic Substituted Aminoazacycles Useful as Central Nervous System Agents GRIN3A, GAP43, GRIN3B CHRNB2 31/4885CHRNA4 19/4885CHRNB4 38/4885
US-20050043291-A1 Heterocyclic substituted aminoazacycles useful as central nervous system agents GRIN3A, GAP43, GRIN3B CHRNB2 31/4885CHRNA4 19/4885CHRNB4 38/4885

“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.

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