SCHEMBL942233

SCHEMBL942233

CN1CCC(C(=O)CBr)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.41
ALDH1A1 P00352 2/20 0.37
NCF1 P14598 1/20 0.37
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
GNAI3 P08754 3/20 0.34
GNAO1 P09471 3/20 0.34
GNAI1 P63096 3/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
CYP1A2 P05177 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
RIPK1 Q13546 1/20 0.33
HRH4 Q9H3N8 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
Bromide SCHEMBL1646647 0.98 NLRP3 (0.40) NLRP3ALDH1A1NCF1HTTSMN1; SMN2
SCHEMBL13783634 0.83 ALDH1A1 (0.37) ALDH1A1NCF1HTTSMN1; SMN2LMNA
SCHEMBL8351923 0.80 HTT (0.41) ALDH1A1NCF1HTTSMN1; SMN2LMNA
SCHEMBL15508724 0.80 NCF1 (0.38) ALDH1A1NCF1HTTSMN1; SMN2LMNA
SCHEMBL190471 0.79 EPHX2 (0.41) SMN1; SMN2CYP1A2TDP1
SCHEMBL13714198 0.78 ALDH1A1 (0.39) ALDH1A1NCF1HTTSMN1; SMN2LMNA
SCHEMBL3981214 0.78 ALDH1A1 (0.37) ALDH1A1NCF1HTTSMN1; SMN2LMNA
SCHEMBL15958211 0.78 NCF1 (0.46) ALDH1A1NCF1HTTSMN1; SMN2LMNA
SCHEMBL16366 0.78
SCHEMBL2657574 0.78 NLRP3 (0.34) NLRP3SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2738163-B1 AMIDINE COMPOUND OR SALT THEREOF TAISHO PHARMACEUTICAL CO LTD (JP) 2016-01-20 EP disclosed
US-9045466-B2 Amidine compound or salt thereof TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-06-02 US disclosed
US-9045466-B2 Amidine compound or salt thereof TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-06-02 US disclosed
US-20140155597-A1 AMIDINE COMPOUND OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2014-06-05 US disclosed
US-20140155597-A1 AMIDINE COMPOUND OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2014-06-05 US disclosed
EP-2097413-B1 2-[(2-SUBSTITUTED)-IND0LIZIN-3-YL]-2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G LTD (GB) 2013-12-25 EP disclosed
US-8604029-B2 2-[(2-substituted)-indolizin-3-yl]-2-oxo-acetamide derivatives as antifungal agents F2G LTD BRITISH BODY CORPORATE (GB) 2013-12-10 US disclosed
US-8524705-B2 2-oxo-2-(2-phenyl-5,6,7,8-tetrahydro-indolizin-3-yl)-acetamide derivatives and related compounds as antifungal agents F2G LIMITED BRITISH BODY CORPORATE (GB) 2013-09-03 US disclosed
WO-2013018735-A1 AMIDINE COMPOUND OR SALT THEREOF 大正製薬株式会社 (JP) 2013-02-07 WO disclosed
US-20110183969-A1 ANTIFUNGAL COMBINATION THERAPY F2G LTD (GB) 2011-07-28 US disclosed
EP-2303329-A1 ANTIFUNGAL COMBINATION THERAPY F2G Limited (GB) 2011-04-06 EP disclosed
US-20110009390-A1 2-OXO-2- (2-PHENYL-5,6,7,8-TETRAHYDRO-INDOLIZIN-3-YL) -ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ANTIFUNGAL AGENTS F2G LIMITED (GB) 2011-01-13 US disclosed
EP-2173749-B1 2-OXO-2- (2-PHENYL-5,6,7,8-TETRAHYDRO-INDOLIZIN-3-YL) -ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ANTIFUNGAL AGENTS F2G LTD (GB) 2011-01-12 EP disclosed
EP-2173749-A1 2-OXO-2- (2-PHENYL-5,6,7,8-TETRAHYDRO-INDOLIZIN-3-YL) -ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ANTIFUNGAL AGENTS F2G Limited (GB) 2010-04-14 EP disclosed
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G LTD. 2010-03-04 US disclosed
WO-2009144473-A1 ANTIFUNGAL COMBINATION THERAPY F2G LIMITED (GB) 2009-12-03 WO disclosed
WO-2008145963-A1 2-OXO-2- (2-PHENYL-5,6,7,8-TETRAHYDRO-INDOLIZIN-3-YL) -ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ANTIFUNGAL AGENTS F2G LIMITED (GB) 2008-12-04 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 (4 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-20110183969-A1 ANTIFUNGAL COMBINATION THERAPY IDO1, FOXM1, IPO5 NLRP3 296/4885ALDH1A1 2813/4885NCF1 1630/4885
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS NAT1, AGXT, CYP1A2 NLRP3 726/4885ALDH1A1 318/4885NCF1 2059/4885
US-20110009390-A1 2-OXO-2- (2-PHENYL-5,6,7,8-TETRAHYDRO-INDOLIZIN-3-YL) -ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ANTIFUNGAL AGENTS NAT1, FOXM1, CYP51A1 NLRP3 1326/4885ALDH1A1 124/4885NCF1 2090/4885
US-20140155597-A1 AMIDINE COMPOUND OR SALT THEREOF ERG28, ARG1, THEM6 NLRP3 3280/4885ALDH1A1 3468/4885NCF1 441/4885

“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.