SCHEMBL3014100

SCHEMBL3014100

CC(C)(C)OC(=O)OC(=O)[C@@H](N)Cc1c[nH]c2cc(F)ccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.47
HTR2C P28335 1/20 0.47
TACR1 P25103 3/20 0.45
GPR84 Q9NQS5 1/20 0.45
PTPRA P18433 1/20 0.43
SCN9A Q15858 4/20 0.42
CYP2C19 P33261 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
MPO P05164 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
KMT2A Q03164 1/20 0.42
HIF1A Q16665 1/20 0.42
NR3C1 P04150 1/20 0.41
HTR1A P08908 1/20 0.40
ADAM17 P78536 1/20 0.40

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
SCHEMBL11440283 0.93 HTR2A (0.58) HTR2AHTR2CTACR1GPR84SCN9A
SCHEMBL3013867 0.87 GPR84 (0.43) HTR2AHTR2CTACR1GPR84PTPRA
SCHEMBL11771081 0.85 MAPT (0.60) HTR2AHTR2CTACR1KDM4EMEN1
SCHEMBL1196540 0.84 HTR2A (0.53) HTR2AHTR2CTACR1GPR84PTPRA
SCHEMBL5165731 0.84 HTR2A (0.53) HTR2AHTR2CTACR1GPR84PTPRA
Hydrochloric Acid SCHEMBL6729101 0.83 HTR2A (0.52) HTR2AHTR2CTACR1GPR84PTPRA
Hydrochloric Acid SCHEMBL6729099 0.83 HTR2A (0.52) HTR2AHTR2CTACR1GPR84PTPRA
SCHEMBL8312078 0.83 NPSR1 (0.62) HTR2AHTR2CTACR1SCN9ACYP2C19
SCHEMBL3018303 0.82 MTNR1A (0.47) HTR2AHTR2CTACR1GPR84SCN9A
SCHEMBL3009547 0.79 GPR84 (0.46) HTR2AHTR2CGPR84MPOTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100184758-A1 BETA CARBOLINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS MERCK SHARP & DOHME CORP. 2010-07-22 US disclosed
EP-2178537-A1 BETA CARBOLINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS Merck Sharp & Dohme Corp. (US) 2010-04-28 EP disclosed
WO-2009011836-A1 BETA CARBOLINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS MERCK & CO., INC. (US) 2009-01-22 WO disclosed
US-4224199-A ANTIDIABETIC MEYERS CHESTER A 1980-09-23 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 (1 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-20100184758-A1 BETA CARBOLINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS GPR119, SSTR3, SSTR2 HTR2A 46/4885HTR2C 26/4885TACR1 181/4885

“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.