SCHEMBL187976

SCHEMBL187976

CC(C)C(=O)N1CC[N]CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42
CHRNB3 Q05901 1/20 0.42
CHRNA6 Q15825 1/20 0.42
MET P08581 1/20 0.37
ALDH1A1 P00352 3/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PKM P14618 1/20 0.34
MAPT P10636 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MAP4K4 O95819 1/20 0.34
LMNA P02545 1/20 0.33
NPY5R Q15761 1/20 0.33
FAAH O00519 1/20 0.33
MTNR1B P49286 1/20 0.33

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
SCHEMBL2910274 0.84 MEN1 (0.35) ALDH1A1MEN1KMT2A
SCHEMBL2904852 0.84 MEN1 (0.35) ALDH1A1MEN1KMT2A
SCHEMBL3312013 0.84 MEN1 (0.35) ALDH1A1MEN1KMT2A
SCHEMBL7510037 0.82 MEN1 (0.34) ALDH1A1MEN1KMT2A
SCHEMBL3311811 0.82 CYP3A4 (0.38) ALDH1A1MEN1KMT2A
SCHEMBL9003431 0.82 CYP3A4 (0.38) ALDH1A1MEN1KMT2A
SCHEMBL22753493 0.82 CHRNB2 (0.50) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL4546617 0.82 CHRNB2 (0.50) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL674660 0.82
SCHEMBL3359056 0.80 MEN1 (0.33) ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023205914-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES, COMPOSITIONS AND USES THEREOF DANATLAS PHARMACEUTICALS CO., LTD. (CN) 2023-11-02 WO claimed
EP-2170889-B1 6-CYCLOAMINO-3-(PYRIDIN-4-YL)IMIDAZO[1,2-B]PYRIDAZINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2016-08-17 EP claimed
US-8846676-B2 6-cycloamino-3-(pyrid-4-yl)imidazo[1,2-b]pyridazine derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2014-09-30 US claimed
US-8354405-B2 6-cycloamino-3-(pyrid-4-yl)imidazo[1,2-b]pyridazine derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-01-15 US claimed
EP-1831173-B1 TETRAHYDROISOQUINOLINE COMPOUNDS FOR TREATMENT OF CNS DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2011-01-26 EP claimed
US-7767666-B2 Butyl and butynyl benzyl amine compounds JANSSEN PHARMACEUTICA NV (BE) 2010-08-03 US claimed
US-20100179154-A1 6-CYCLOAMINO-3-(PYRID-4-YL)IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-07-15 US claimed
US-7655652-B2 2-{4-[4-(2-hydroxyacetyl)piperazin-1-yl]anilino}-4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-5-fluoropyrimidine hydrochloride; cell cycle inhibitory; rheumatoid arthritis ASTRAZENECA AB (SE) 2010-02-02 US claimed
US-20090137562-A1 SUBSTITUTED BENZYL AMINE COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2009-05-28 US claimed
EP-2049466-A1 BUTYL AND BUTYNYL BENZYL AMINE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-22 EP claimed
US-20080194545-A1 ANTIMICROBIAL COMPOSITIONS AND METHODS OF USE TRIUS THERAPEUTICS (US) 2008-08-14 US claimed
WO-2008098143-A2 ANTIMICROBIAL COMPOUNDS AND METHODS OF USE TRIUS THERAPEUTICS (US) 2008-08-14 WO claimed
US-20080045509-A1 SUBSTITUTED BENZYL AMINE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2008-02-21 US claimed
US-20080004258-A1 BUTYL AND BUTYNYL BENZYL AMINE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2008-01-03 US claimed
WO-2008002820-A2 SUBSTITUTED BENZYL AMINE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2008-01-03 WO claimed
WO-2008002817-A1 BUTYL AND BUTYNYL BENZYL AMINE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2008-01-03 WO claimed
US-20070161615-A1 Chemical compounds ASTRAZENECA AB (SE) 2007-07-12 US claimed
EP-1748999-A1 IMIDAZOLO-5-YL-2-ANILINOPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION AstraZeneca AB (SE) 2007-02-07 EP claimed
US-20060194837-A1 Tetrahydroisoquinoline compounds JANSSEN PHARMACEUTICA N.V. (BE) 2006-08-31 US claimed
WO-2005075461-A1 IMIDAZOLO-5-YL-2-ANILINOPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2005-08-18 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20080004258-A1 BUTYL AND BUTYNYL BENZYL AMINE COMPOUNDS HRH3, HNMT, HRH4 CHRNB2 217/4885CHRNA3 193/4885CHRNA4 201/4885
US-20080194545-A1 ANTIMICROBIAL COMPOSITIONS AND METHODS OF USE ABCB11, FPR1, C5 CHRNB2 4878/4885CHRNA3 4880/4885CHRNA4 4883/4885
US-20060194837-A1 Tetrahydroisoquinoline compounds HRH3, HRH4, HRH1 CHRNB2 419/4885CHRNA3 166/4885CHRNA4 206/4885
US-20080045509-A1 SUBSTITUTED BENZYL AMINE COMPOUNDS HRH3, HNMT, HRH4 CHRNB2 371/4885CHRNA3 286/4885CHRNA4 306/4885
US-20070161615-A1 Chemical compounds MKI67, PCNA, CCNI CHRNB2 4803/4885CHRNA3 4805/4885CHRNA4 4813/4885
US-20090137562-A1 SUBSTITUTED BENZYL AMINE COMPOUNDS HRH3, HNMT, HRH4 CHRNB2 371/4885CHRNA3 286/4885CHRNA4 306/4885
US-20100179154-A1 6-CYCLOAMINO-3-(PYRID-4-YL)IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF CBR3, DHFR, IL4I1 CHRNB2 989/4885CHRNA3 692/4885CHRNA4 1018/4885

“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.