SCHEMBL1933967

SCHEMBL1933967

CC(C)CP(CC(C)C)c1ccc2ccccc2c1-c1cccc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 1/20 0.39
DHFR P00374 1/20 0.37
MAPT P10636 5/20 0.35
KMT2A Q03164 3/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.34
GPR84 Q9NQS5 1/20 0.34
PPARG P37231 4/20 0.33
PPARA Q07869 4/20 0.33
PTPN1 P18031 1/20 0.33
NTSR1 P30989 1/20 0.33
TYMP P19971 1/20 0.33
ALOX5 P09917 1/20 0.33
GSK3B P49841 1/20 0.33
ADK P55263 1/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 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
SCHEMBL15972458 1.00 DNMT1 (0.39) DNMT1DHFRMAPTKMT2ARAB9A
SCHEMBL8093265 0.79 ALDH1A1 (0.39) MAPTKMT2AALDH1A1KDM4ELMNA
SCHEMBL478253 0.78 CNR1 (0.39) DNMT1DHFRMAPTKMT2ARAB9A
SCHEMBL28498100 0.77 DHFR (0.42) DNMT1DHFRMAPTKMT2ARAB9A
SCHEMBL29100398 0.77 TLR8 (0.40) DNMT1DHFRMAPTKMT2ARAB9A
SCHEMBL202312 0.73 DHFR (0.40) DNMT1DHFRMAPTKMT2ARAB9A
SCHEMBL29376410 0.73 DHFR (0.40) DNMT1DHFRMAPTKMT2ARAB9A
SCHEMBL3656667 0.73 DHFR (0.40) DNMT1DHFRMAPTKMT2ARAB9A
SCHEMBL15200344 0.73 ALDH1A1 (0.38) DNMT1DHFRMAPTKMT2ARAB9A
SCHEMBL275907 0.71 DNMT1 (0.40) DNMT1DHFRMAPTKMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11072602-B2 Antidiabetic heterocyclic compounds MERCK SHARP & DOHME CORP. (US) 2021-07-27 US disclosed
US-10968232-B2 Antidiabetic spirochroman compounds MERCK SHARP & DOHME CORP. (US) 2021-04-06 US disclosed
US-20190337961-A1 ANTIDIABETIC SPIROCHROMAN COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2019-11-07 US disclosed
US-9840512-B2 Antidiabetic bicyclic compounds MERCK SHARP & DOHME CORP. (US) 2017-12-12 US disclosed
US-20160002255-A1 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC 2016-01-07 US disclosed
EP-2506716-A1 NOVEL TRICYCLIC COMPOUNDS Abbott Laboratories (US) 2012-10-10 EP disclosed
EP-2506713-A1 NOVEL TRICYCLIC COMPOUNDS Abbott Laboratories (US) 2012-10-10 EP disclosed
WO-2011068881-A1 NOVEL TRICYCLIC COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-09 WO disclosed
WO-2011068899-A1 NOVEL TRICYCLIC COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-09 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-10968232-B2 Antidiabetic spirochroman compounds GPR119, GPR52, GPR55 DNMT1 4654/4885DHFR 2614/4885MAPT 4627/4885
US-20190337961-A1 ANTIDIABETIC SPIROCHROMAN COMPOUNDS GPR119, GPR52, GPR55 DNMT1 4654/4885DHFR 2614/4885MAPT 4627/4885
US-11072602-B2 Antidiabetic heterocyclic compounds GPR119, GLP1R, GPR65 DNMT1 4760/4885DHFR 2652/4885MAPT 4558/4885
US-20160002255-A1 ANTIDIABETIC BICYCLIC COMPOUNDS GPR119, GPR65, GLP1R DNMT1 4751/4885DHFR 3238/4885MAPT 4354/4885

“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.