SCHEMBL15964665

SCHEMBL15964665

CCOC(=O)c1cc(C)n(Cc2ccccc2F)n1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.54
CYP2C19 P33261 2/20 0.54
TP53 P04637 2/20 0.49
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
P2RY14 Q15391 1/20 0.47
PTGER1 P34995 4/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 1/20 0.47
CYP2C9 P11712 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
NPSR1 Q6W5P4 2/20 0.45
MAPK1 P28482 1/20 0.43
GAA P10253 1/20 0.43
THRB P10828 1/20 0.43

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
SCHEMBL29831851 1.00 CYP1A2 (0.54) CYP1A2CYP2C19TP53ALDH1A1KDM4E
SCHEMBL2921176 0.89 SMN1; SMN2 (0.52) CYP1A2CYP2C19TP53ALDH1A1KDM4E
SCHEMBL30121985 0.89 TP53 (0.48) CYP1A2CYP2C19TP53ALDH1A1KDM4E
SCHEMBL15075362 0.89 TP53 (0.48) CYP1A2CYP2C19TP53ALDH1A1KDM4E
SCHEMBL30223258 0.88 TP53 (0.47) CYP1A2CYP2C19TP53ALDH1A1KDM4E
SCHEMBL175092 0.88 TP53 (0.47) CYP1A2CYP2C19TP53ALDH1A1KDM4E
SCHEMBL17611623 0.88 TP53 (0.50) CYP1A2CYP2C19TP53ALDH1A1KDM4E
SCHEMBL15964663 0.87 MAPT (0.48) CYP1A2ALDH1A1KDM4EP2RY14PTGER1
SCHEMBL17610956 0.87 SMN1; SMN2 (0.47) CYP1A2CYP2C19TP53ALDH1A1KDM4E
SCHEMBL17610985 0.87 P2RY14 (0.50) CYP1A2CYP2C19TP53ALDH1A1KDM4E

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 80 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
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
CN-107406422-B Pyrazole derivatives as sGC stimulators 赛科理音医疗有限公司 2022-02-01 CN disclosed
EP-3660013-B1 SGC STIMULATORS CYCLERION THERAPEUTICS INC (US) 2022-01-19 EP disclosed
EP-3660013-B1 SGC STIMULATORS CYCLERION THERAPEUTICS INC (US) 2022-01-19 EP disclosed
US-9481689-B2 sGC stimulators IRONWOOD PHARMACEUTICALS, INC. (US) 2016-11-01 US disclosed
WO-2016044447-A1 PYRAZOLE DERIVATIVES AS SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2016-03-24 WO disclosed
WO-2016044447-A1 PYRAZOLE DERIVATIVES AS SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2016-03-24 WO disclosed
US-20160031903-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2016-02-04 US disclosed
US-20160031903-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2016-02-04 US disclosed
US-20160031903-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2016-02-04 US disclosed
EP-2970243-A2 SGC STIMULATORS Ironwood Pharmaceuticals, Inc. (US) 2016-01-20 EP disclosed
WO-2014144100-A2 SGC STIMULATORS NAKAI TAKASHI (US) 2014-09-18 WO disclosed
WO-2014144100-A2 SGC STIMULATORS NAKAI TAKASHI (US) 2014-09-18 WO disclosed
WO-2014125444-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2014-08-21 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-20230106002-A1 sGC STIMULATORS PTGIS, CGAS, GUCY1A1 CYP1A2 872/4885CYP2C19 1024/4885TP53 4691/4885
US-20160031903-A1 sGC STIMULATORS PTGIS, CGAS, GUCY1A1 CYP1A2 872/4885CYP2C19 1024/4885TP53 4691/4885

“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.