SCHEMBL9700808

SCHEMBL9700808

Cc1cn(-c2cc(C)c3c(c2)COC(=S)N3)cn1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR2E1 Q9Y466 2/20 0.36
MAOA P21397 3/20 0.34
MAOB P27338 3/20 0.34
CYP2E1 P05181 1/20 0.34
CYP2A6 P11509 1/20 0.34
CYP3A4 P08684 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP19A1 P11511 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
LDLR P01130 1/20 0.32
PCSK9 Q8NBP7 1/20 0.32
PSEN1 P49768 3/20 0.31
PSEN2 P49810 3/20 0.31
APH1B Q8WW43 3/20 0.31
NCSTN Q92542 3/20 0.31
APH1A Q96BI3 3/20 0.31
PSENEN Q9NZ42 3/20 0.31

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
SCHEMBL14790460 0.88 NR2E1 (0.34) NR2E1MAOAMAOBCYP2E1CYP2A6
SCHEMBL9699755 0.85 NR2E1 (0.36) NR2E1MAOAMAOBCYP2E1CYP2A6
SCHEMBL9700823 0.77 NR2E1 (0.36) NR2E1MAOAMAOBCYP2E1CYP2A6
SCHEMBL9700770 0.72 NR2E1 (0.36) NR2E1CYP2E1CYP2A6CYP3A4CYP1A2
Hydrochloric Acid SCHEMBL9701801 0.71 NR2E1 (0.35) NR2E1CYP2E1CYP2A6CYP3A4CYP1A2
SCHEMBL9699737 0.67 PSEN1 (0.44) MAOAMAOBCYP2E1CYP2A6CYP3A4
SCHEMBL9700879 0.61 PSEN1 (0.46) NR2E1MAOAMAOBCYP2E1CYP2A6
SCHEMBL27985278 0.61 CYP1A2 (0.65) NR2E1MAOAMAOBCYP2E1CYP2A6
SCHEMBL9699746 0.60 NR2E1 (0.49) NR2E1MAOAMAOBCYP2E1CYP2A6
SCHEMBL1368375 0.60 NR2E1 (0.47) NR2E1MAOAMAOBCYP2E1CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5171851-A Cardiac stimulant DONG-A PHARM. CO., LTD. (KR) 1992-12-15 US claimed
EP-0510235-A1 Novel benzoxazine or benzothiazine derivatives and process for the preparation of the same DONG-A PHARM. CO., LTD. (KR) 1992-10-28 EP claimed
US-8796266-B2 Cyclothiocarbamate derivatives as progesterone receptor modulators WYETH LLC (US) 2014-08-05 US disclosed
US-8796266-B2 Cyclothiocarbamate derivatives as progesterone receptor modulators WYETH LLC (US) 2014-08-05 US disclosed
US-20130261112-A1 Cyclothiocarbamate Derivatives as Progesterone Receptor Modulators WYETH LLC 2013-10-03 US disclosed
US-20130261112-A1 Cyclothiocarbamate Derivatives as Progesterone Receptor Modulators WYETH LLC 2013-10-03 US disclosed
US-8466146-B2 Cyclothiocarbamate derivatives as progesterone receptor modulators WYETH LLC (US) 2013-06-18 US disclosed
US-8466146-B2 Cyclothiocarbamate derivatives as progesterone receptor modulators WYETH LLC (US) 2013-06-18 US disclosed
US-8329690-B2 Cyclothiocarbamate derivatives as progesterone receptor modulators WYETH LLC (US) 2012-12-11 US disclosed
US-8329690-B2 Cyclothiocarbamate derivatives as progesterone receptor modulators WYETH LLC (US) 2012-12-11 US disclosed
US-20090281096-A1 CYCLOTHIOCARBAMATE DERIVATIVES AS PROGESTERONE RECEPTOR MODULATORS WYETH (US) 2009-11-12 US disclosed
US-20090281096-A1 CYCLOTHIOCARBAMATE DERIVATIVES AS PROGESTERONE RECEPTOR MODULATORS WYETH (US) 2009-11-12 US disclosed
US-7569564-B2 Cyclothiocarbamate derivatives as progesterone receptor modulators WYETH (US) 2009-08-04 US disclosed
US-7569564-B2 Cyclothiocarbamate derivatives as progesterone receptor modulators WYETH (US) 2009-08-04 US disclosed
US-5171851-A Cardiac stimulant DONG-A PHARM. CO., LTD. (KR) 1992-12-15 US disclosed
EP-0510235-A1 Novel benzoxazine or benzothiazine derivatives and process for the preparation of the same DONG-A PHARM. CO., LTD. (KR) 1992-10-28 EP 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-20090281096-A1 CYCLOTHIOCARBAMATE DERIVATIVES AS PROGESTERONE RECEPTOR MODULATORS PGR, PGRMC2, PGRMC1 NR2E1 36/4885MAOA 3760/4885MAOB 3456/4885
US-20130261112-A1 Cyclothiocarbamate Derivatives as Progesterone Receptor Modulators PGR, PGRMC2, PGRMC1 NR2E1 36/4885MAOA 3760/4885MAOB 3456/4885

“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.