SCHEMBL905241

SCHEMBL905241

NC1CCCN1c1cncc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 6/20 0.40
CYP11B1 P15538 3/20 0.40
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
LCAT P04180 2/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
CHRNB1 P11230 2/20 0.34
CHRNB2 P17787 2/20 0.34
CHRNB4 P30926 2/20 0.34
CHRNA3 P32297 2/20 0.34

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 SCHEMBL4823766 0.99 CYP11B2 (0.39) CYP11B2CYP11B1NR1H2NR1H3LCAT
SCHEMBL4825581 0.80 CYP11B2 (0.38) CYP11B2CHRNB2CHRNB4CHRNA3
SCHEMBL905230 0.79 NR1H2 (0.39) CYP11B2CYP11B1NR1H2NR1H3LCAT
Hydrochloric Acid SCHEMBL4822795 0.78 NR1H2 (0.38) CYP11B2CYP11B1NR1H2NR1H3LCAT
SCHEMBL23515173 0.77 IDH2 (0.46) NR1H2NR1H3MAPK1
SCHEMBL5107911 0.77 NR1H2 (0.39) CYP11B2CYP11B1NR1H2NR1H3LCAT
SCHEMBL21624823 0.77 IDH2 (0.46) NR1H2NR1H3MAPK1
SCHEMBL21624824 0.77 IDH2 (0.46) NR1H2NR1H3MAPK1
SCHEMBL5094697 0.76 CYP11B2 (0.37) CYP11B2CHRNB2CHRNB4CHRNA3
SCHEMBL5107359 0.75 NR1H2 (0.38) CYP11B2CYP11B1NR1H2NR1H3LCAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 claimed
EP-1178982-B1 HETEROCYCLIC SUBSTITUTED AMINOAZACYCLES USEFUL AS CENTRAL NERVOUS SYSTEM AGENTS ABBOTT LAB (US) 2004-06-30 EP claimed
CN-1361774-A Heterocyclic substituted amino nitrogen heterocycles as central nervous system medicaments ABBOTT INC (US) 2002-07-31 CN claimed
US-20180092916-A1 METHODS OF TREATING DISEASE-INDUCED ATAXIA AND NON-ATAXIC IMBALANCE UNIVERSITY OF SOUTH FLORIDA (US) 2018-04-05 US disclosed
US-9782404-B2 Methods of treating disease-induced ataxia and non-ataxic imbalance UNIVERSITY OF SOUTH FLORIDA (US) 2017-10-10 US disclosed
US-9463190-B2 Methods of treating disease-induced ataxia and non-ataxic imbalance UNIVERSITY OF SOUTH FLORIDA (US) 2016-10-11 US disclosed
US-20140371208-A1 METHODS OF TREATING DISEASE-INDUCED ATAXIA AND NON-ATAXIC IMBALANCE UNIVERSITY OF SOUTH FLORIDA 2014-12-18 US disclosed
US-20110237597-A1 METHOD OF TREATING PERIPHERAL NERVE SENSORY LOSS USING COMPOUNDS HAVING NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY UNIVERSITY OF SOUTH FLORIDA 2011-09-29 US disclosed
EP-2300012-A2 METHOD OF TREATING PERIPHERAL NERVE SENSORY LOSS USING COMPOUNDS HAVING NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY University of South Florida (US) 2011-03-30 EP disclosed
US-20110059905-A1 METHODS OF TREATING DISEASE-INDUCED ATAXIA AND NON-ATAXIC IMBALANCE UNIVERSITY OF SOUTH FLORIDA 2011-03-10 US 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-1178982-B1 HETEROCYCLIC SUBSTITUTED AMINOAZACYCLES USEFUL AS CENTRAL NERVOUS SYSTEM AGENTS ABBOTT LAB (US) 2004-06-30 EP 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 (5 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-20140371208-A1 METHODS OF TREATING DISEASE-INDUCED ATAXIA AND NON-ATAXIC IMBALANCE CHRNA6, CHRNA7, CHRNA2 CYP11B2 1798/4885CYP11B1 1904/4885NR1H2 754/4885
US-20110059905-A1 METHODS OF TREATING DISEASE-INDUCED ATAXIA AND NON-ATAXIC IMBALANCE CHRNA6, CHRNA7, CHRNA2 CYP11B2 1798/4885CYP11B1 1904/4885NR1H2 754/4885
US-20180092916-A1 METHODS OF TREATING DISEASE-INDUCED ATAXIA AND NON-ATAXIC IMBALANCE CHRNA6, CHRNA7, CHRNA2 CYP11B2 1798/4885CYP11B1 1904/4885NR1H2 754/4885
US-20110237597-A1 METHOD OF TREATING PERIPHERAL NERVE SENSORY LOSS USING COMPOUNDS HAVING NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY ACHE, CHRNA6, CHRNB2 CYP11B2 4362/4885CYP11B1 4547/4885NR1H2 512/4885
US-20050043291-A1 Heterocyclic substituted aminoazacycles useful as central nervous system agents GRIN3A, GAP43, GRIN3B CYP11B2 335/4885CYP11B1 387/4885NR1H2 1309/4885

“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.