SCHEMBL990624

SCHEMBL990624

CC(C)(C)OC(=O)Cc1cncc(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.39
MTNR1A P48039 4/20 0.38
MTNR1B P49286 4/20 0.38
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
SHMT1 P34896 1/20 0.36
RIPK1 Q13546 1/20 0.35
RIPK3 Q9Y572 1/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL19974287 0.82 MTNR1A (0.42) MTNR1AMTNR1BRIPK1RIPK3MAPT
SCHEMBL17999509 0.81 MTNR1A (0.42) HCAR2MTNR1AMTNR1BCYP11B1CYP11B2
SCHEMBL3372685 0.80 HCAR2 (0.46) HCAR2SHMT1MAPTKMT2A
SCHEMBL8983807 0.79 MAOB (0.48) HCAR2MAPTKMT2A
SCHEMBL12302707 0.77 MTNR1A (0.37) MTNR1AMTNR1BRIPK1RIPK3
SCHEMBL19806204 0.76 TSHR (0.43) HCAR2CYP11B1CYP11B2MAPTKMT2A
SCHEMBL1724531 0.76 MTNR1A (0.36) MTNR1AMTNR1BRIPK1RIPK3
SCHEMBL22068726 0.76 KDM4E (0.48) MAPTKMT2A
SCHEMBL23169558 0.76 STK17B (0.40) MTNR1AMTNR1BRIPK1RIPK3MAPT
SCHEMBL2427540 0.75 MAPT (0.56) MTNR1AMTNR1BMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220402875-A1 S1P3 Antagonists TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2022-12-22 US disclosed
US-11472772-B2 S1P3 antagonists TEVA PHARMACEUTICAL INDUSTRIES LIMITED (IL) 2022-10-18 US disclosed
EP-3258929-B1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME (US) 2022-04-27 EP disclosed
EP-3896068-A1 S1P3 ANTAGONISTS Teva Pharmaceutical Industries Limited (IL) 2021-10-20 EP disclosed
EP-3689864-A1 S1P3 ANTAGONISTS Teva Pharmaceutical Industries Limited (IL) 2020-08-05 EP disclosed
US-20200157052-A1 S1P3 Antagonists TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2020-05-21 US disclosed
EP-3086845-B1 S1P3 ANTAGONISTS TEVA PHARMACEUTICAL INDUSTRIES LTD (IL) 2019-11-20 EP disclosed
US-10351558-B2 Factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2019-07-16 US disclosed
US-20180201582-A1 S1P3 ANTAGONISTS TEVA PHARMACEUTICAL INDUSTRIES LIMITED (IL) 2018-07-19 US disclosed
US-9951017-B2 S1P3 antagonists TEVA PHARMACEUTICAL INDUSTRIES LIMITED (IL) 2018-04-24 US disclosed
EP-3258929-A1 FACTOR IXa INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-12-27 EP disclosed
EP-3086845-A1 S1P3 ANTAGONISTS Teva Pharmaceutical Industries Limited (IL) 2016-11-02 EP disclosed
US-20160297762-A1 S1P3 ANTAGONISTS TEVA PHARMACEUTICAL INDUSTRIES LIMITED (IL) 2016-10-13 US disclosed
WO-2016133793-A1 FACTOR IXa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-08-25 WO disclosed
WO-2015082357-A1 S1P3 ANTAGONISTS SIENA BIOTECH S.P.A. (IT) 2015-06-11 WO disclosed
EP-2878339-A1 SIP3 antagonists Siena Biotech S.p.A. (IT) 2015-06-03 EP disclosed
EP-1745037-B1 Indolylmaleimide derivatives as inhibitors for the treatment of graft rejection or autoimmune diseases NOVARTIS AG (CH) 2013-01-02 EP disclosed
EP-2270001-A1 Indolylmaleimide derivatives as PKC inhibitors Novartis AG (CH) 2011-01-05 EP disclosed
US-7648989-B2 Indolylmaleimide derivatives as PKC inhibitors NOVARTIS AG (CH) 2010-01-19 US disclosed
US-20080242675-A1 Indolylmaleimide Derivatives as Pkc Inhibitors NOVARTIS AG (CH) 2008-10-02 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 (7 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-20180201582-A1 S1P3 ANTAGONISTS S1PR3, S1PR5, S1PR1 HCAR2 148/4885MTNR1A 302/4885MTNR1B 323/4885
US-20160297762-A1 S1P3 ANTAGONISTS S1PR3, S1PR5, S1PR1 HCAR2 148/4885MTNR1A 302/4885MTNR1B 323/4885
US-20220402875-A1 S1P3 Antagonists S1PR3, S1PR5, S1PR1 HCAR2 148/4885MTNR1A 302/4885MTNR1B 323/4885
US-20200157052-A1 S1P3 Antagonists S1PR3, S1PR5, S1PR1 HCAR2 148/4885MTNR1A 302/4885MTNR1B 323/4885
US-20080242675-A1 Indolylmaleimide Derivatives as Pkc Inhibitors PRKCE, PRKCH, PRKCI HCAR2 3292/4885MTNR1A 3055/4885MTNR1B 2353/4885
US-10351558-B2 Factor IXa inhibitors F9, TFPI, F12 HCAR2 2776/4885MTNR1A 2916/4885MTNR1B 2253/4885
US-11472772-B2 S1P3 antagonists S1PR3, S1PR5, S1PR1 HCAR2 148/4885MTNR1A 302/4885MTNR1B 323/4885

“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.