SCHEMBL17493552

SCHEMBL17493552

Brc1ccc2c(c1)CC(C1CCNCC1)OC2

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PNMT P11086 12/20 0.38
ASIC3 Q9UHC3 1/20 0.38
SLC6A4 P31645 1/20 0.36
ADRA2A P08913 4/20 0.36
ADRA2B P18089 3/20 0.36
ADRA2C P18825 3/20 0.36
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34

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
SCHEMBL23888913 0.81 PNMT (0.32) PNMTADRA2AADRA2BADRA2C
SCHEMBL2595915 0.78 PNMT (0.36) PNMTASIC3SLC6A4ADRA2AADRA2B
SCHEMBL17493533 0.76 FAAH (0.39)
SCHEMBL31757806 0.75 HTR2A (0.41) PNMTASIC3SLC6A4HTR2AHTR2C
SCHEMBL4353832 0.72 PNMT (0.34) PNMTASIC3SLC6A4HTR2AHTR2C
SCHEMBL19203254 0.69 PNMT (0.46) PNMTASIC3ADRA2AADRA2BADRA2C
SCHEMBL23877925 0.69 FFAR1 (0.39)
SCHEMBL15825529 0.69 PNMT (0.46) PNMTASIC3ADRA2AADRA2BADRA2C
SCHEMBL17545451 0.67 ESR1 (0.31)
SCHEMBL12184493 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3177282-B1 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK SHARP & DOHME (US) 2021-10-06 EP disclosed
EP-3177282-B1 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK SHARP & DOHME (US) 2021-10-06 EP disclosed
US-10662171-B2 Antidiabetic bicyclic compounds MERCK SHARP & DOHME CORP. (US) 2020-05-26 US disclosed
US-10662171-B2 Antidiabetic bicyclic compounds MERCK SHARP & DOHME CORP. (US) 2020-05-26 US disclosed
US-20170217920-A1 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC 2017-08-03 US disclosed
US-20170217920-A1 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC 2017-08-03 US disclosed
US-20170217920-A1 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC 2017-08-03 US disclosed
EP-3177282-A1 ANTIDIABETIC BICYCLIC COMPOUNDS Merck Sharp & Dohme Corp. (US) 2017-06-14 EP disclosed
WO-2016022448-A1 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2016-02-11 WO disclosed
WO-2016022448-A1 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2016-02-11 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 (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-10662171-B2 Antidiabetic bicyclic compounds GPR119, GPR65, GLP1R PNMT 4478/4885ASIC3 2661/4885SLC6A4 2709/4885
US-20170217920-A1 ANTIDIABETIC BICYCLIC COMPOUNDS GPR119, GPR65, GLP1R PNMT 4478/4885ASIC3 2661/4885SLC6A4 2709/4885

“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.