SCHEMBL12332018

SCHEMBL12332018

Cc1noc(C2CCCCN2)n1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.50
CHRM2 P08172 4/20 0.40
CHRM4 P08173 2/20 0.37
CHRM5 P08912 2/20 0.37
CHRM1 P11229 2/20 0.37
CHRM3 P20309 2/20 0.37
POLB P06746 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2A6 P11509 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36

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 SCHEMBL19746266 0.98 NR1H4 (0.49) NR1H4CHRM2CHRM4CHRM5CHRM1
Hydrochloric Acid SCHEMBL16400391 0.98 NR1H4 (0.49) NR1H4CHRM2CHRM4CHRM5CHRM1
Hydrochloric Acid SCHEMBL19746268 0.98 NR1H4 (0.49) NR1H4CHRM2CHRM4CHRM5CHRM1
Hydrochloric Acid SCHEMBL19746025 0.98 NR1H4 (0.49) NR1H4CHRM2CHRM4CHRM5CHRM1
SCHEMBL174089 0.95 NR1H4 (0.49) NR1H4CHRM2CHRM4CHRM5CHRM1
SCHEMBL951881 0.95 NR1H4 (0.49) NR1H4CHRM2CHRM4CHRM5CHRM1
SCHEMBL15934142 0.95 NR1H4 (0.49) NR1H4CHRM2CHRM4CHRM5CHRM1
SCHEMBL17464833 0.85 CHRM2 (0.44) NR1H4CHRM2CHRNB2
SCHEMBL15934209 0.85 CHRM2 (0.44) NR1H4CHRM2CHRNB2
Trifluoroacetic Acid SCHEMBL953944 0.81 NR1H4 (0.40) NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3998260-B1 SGC STIMULATORS CYCLERION THERAPEUTICS INC (US) 2023-11-01 EP disclosed
CN-109369635-B Compound or pharmaceutically acceptable salt thereof, application thereof and pharmaceutical composition 赛克里翁治疗有限公司 2023-06-30 CN disclosed
US-20230106002-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. 2023-04-06 US disclosed
CN-109384778-B Use of a compound or a pharmaceutically acceptable salt thereof for the manufacture of a medicament for the treatment of a disease, health condition or disorder 赛克里翁治疗有限公司 2022-12-13 CN disclosed
CN-110016020-B Compound or pharmaceutically acceptable salt thereof, application and pharmaceutical composition thereof 赛克里翁治疗有限公司 2022-07-26 CN disclosed
EP-3998260-A1 SGC STIMULATORS Cyclerion Therapeutics, Inc. (US) 2022-05-18 EP disclosed
EP-3660013-B1 SGC STIMULATORS CYCLERION THERAPEUTICS INC (US) 2022-01-19 EP disclosed
US-11207323-B2 sGC stimulators CYCLERION THERAPEUTICS, INC. (US) 2021-12-28 US disclosed
CN-108912111-B Compounds and pharmaceutical compositions 赛克里翁治疗有限公司 2021-09-14 CN disclosed
US-20200316065-A1 sGC STIMULATORS CYCLERION THERAPEUTICS, INC. 2020-10-08 US disclosed
CN-105555783-A Autotaxin inhibitors comprising a heteroaromatic ring-benzyl-amide-cycle core NOVARTIS AG 2016-05-04 CN disclosed
CN-105408328-A sGC stimulators IRONWOOD PHARMACEUTICALS INC 2016-03-16 CN disclosed
US-20160031903-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2016-02-04 US disclosed
WO-2015008230-A1 AUTOTAXIN INHIBITORS COMPRISING A HETEROAROMATIC RING-BENZYL-AMIDE-CYCLE CORE NOVARTIS AG (CH) 2015-01-22 WO disclosed
EP-2470021-B1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME (US) 2014-10-22 EP disclosed
EP-1237891-B1 HETEROCYCLIC DIHYDROPYRIMIDINES AS POTASSIUM CHANNEL INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-09-28 EP disclosed
US-7541362-B2 Heterocyclic dihydropyrimidine compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-02 US disclosed
US-20070099899-A1 Heterocyclic dihydropyrimidine compounds ATWAL KARNAIL S 2007-05-03 US disclosed
US-7157451-B2 Heterocyclic dihydropyrimidine compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-02 US disclosed
US-7157451-B2 Heterocyclic dihydropyrimidine compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-02 US 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-20230106002-A1 sGC STIMULATORS PTGIS, CGAS, GUCY1A1 NR1H4 2199/4885CHRM2 1709/4885CHRM4 2006/4885
US-11207323-B2 sGC stimulators PTGIS, CGAS, GUCY1A1 NR1H4 2199/4885CHRM2 1709/4885CHRM4 2006/4885
US-20070099899-A1 Heterocyclic dihydropyrimidine compounds KCNJ2, KCNQ5, KCNQ2 NR1H4 3345/4885CHRM2 3532/4885CHRM4 2173/4885
US-20160031903-A1 sGC STIMULATORS PTGIS, CGAS, GUCY1A1 NR1H4 2199/4885CHRM2 1709/4885CHRM4 2006/4885
US-20200316065-A1 sGC STIMULATORS PTGIS, CGAS, GUCY1A1 NR1H4 2199/4885CHRM2 1709/4885CHRM4 2006/4885

“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.