SCHEMBL3511518

SCHEMBL3511518

CN(Cc1cccc(Br)n1)C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.45
SLC6A4 P31645 6/20 0.45
CACNA1G O43497 1/20 0.39
CACNA1B Q00975 1/20 0.39
CACNA1C Q13936 1/20 0.39
GLS O94925 2/20 0.37
HTR2A P28223 1/20 0.36
SSTR4 P31391 1/20 0.36
GBA1 P04062 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
HTR7 P34969 1/20 0.35
APLNR P35414 1/20 0.35
PAX8 Q06710 1/20 0.34
RIPK1 Q13546 1/20 0.34
CLK1 P49759 1/20 0.34
AKT1 P31749 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
SCHEMBL946471 0.84 HTR2C (0.46) HTR2CSLC6A4CACNA1GCACNA1BCACNA1C
SCHEMBL2602364 0.84 GRIN2D (0.45) HTR2CSLC6A4SSTR4CHRNB2CHRNA4
SCHEMBL30912531 0.83 HTR2C (0.45) HTR2CSLC6A4CACNA1GCACNA1BCACNA1C
SCHEMBL5428116 0.83 SSTR4 (0.34) HTR2CSLC6A4SSTR4CHRNB2CHRNA4
SCHEMBL2029389 0.81 HTR2C (0.41) HTR2CSLC6A4CACNA1GCACNA1BCACNA1C
SCHEMBL14558308 0.80 SSTR4 (0.35) HTR2CSLC6A4SSTR4CHRNB2CHRNA4
SCHEMBL171494 0.80 SSTR4 (0.42) SSTR4CHRNB2CHRNA4HTR7
SCHEMBL3669973 0.79 HPGD (0.40) HTR2ACHRNB2CHRNA4HTR7
SCHEMBL24468417 0.79 HTR2C (0.43) HTR2CSLC6A4CACNA1GCACNA1BCACNA1C
SCHEMBL5342203 0.79 SSTR4 (0.32) HTR2CSLC6A4SSTR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4619406-A1 TRICYCLIC COMPOUNDS Schrödinger, Inc. (US) 2025-09-24 EP disclosed
WO-2025076285-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USING THE SAME DELPHIA THERAPEUTICS, INC. (US) 2025-04-10 WO disclosed
WO-2025042408-A1 METHODS OF TREATING CANCER SCHRÖDINGER, INC. (US) 2025-02-27 WO disclosed
WO-2024107393-A1 TRICYCLIC COMPOUNDS SCHRÖDINGER, INC. (US) 2024-05-23 WO disclosed
US-20170204093-A1 IRAK4 INHIBITING AGENTS BIOGEN MA INC. 2017-07-20 US disclosed
US-20170204093-A1 IRAK4 INHIBITING AGENTS BIOGEN MA INC. 2017-07-20 US disclosed
WO-2016011390-A1 IRAK4 INHIBITING AGENTS BIOGEN MA INC. (US) 2016-01-21 WO disclosed
US-8367706-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-02-05 US disclosed
US-8367706-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-02-05 US disclosed
US-8367706-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-02-05 US disclosed
US-20100256097-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-10-07 US disclosed
US-20100256097-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-10-07 US disclosed
US-20100256097-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-10-07 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 (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-20100256097-A1 INHIBITORS OF JANUS KINASES JAK2, JAK3, JAK1 HTR2C 4408/4885SLC6A4 4865/4885CACNA1G 4583/4885
US-20170204093-A1 IRAK4 INHIBITING AGENTS IRAK4, IRAK1, IRAK2 HTR2C 4687/4885SLC6A4 4250/4885CACNA1G 4593/4885

“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.