SCHEMBL5544656

SCHEMBL5544656

C[C@@H]1NC(=O)O[C@H]1c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 11/20 0.49
CA2 P00918 1/20 0.48
SLC6A2 P23975 1/20 0.46
ADRA1A P35348 1/20 0.46
HTR2B P41595 1/20 0.46
SLC6A3 Q01959 1/20 0.46
CYP2D6 P10635 1/20 0.45

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
SCHEMBL338191 1.00 GRM5 (0.49) GRM5CA2SLC6A2ADRA1AHTR2B
SCHEMBL4291 1.00 GRM5 (0.49) GRM5CA2SLC6A2ADRA1AHTR2B
SCHEMBL4687 1.00 GRM5 (0.49) GRM5CA2SLC6A2ADRA1AHTR2B
SCHEMBL3119262 1.00 GRM5 (0.49) GRM5CA2SLC6A2ADRA1AHTR2B
SCHEMBL8192290 1.00 GRM5 (0.49) GRM5CA2SLC6A2ADRA1AHTR2B
SCHEMBL5835621 1.00 GRM5 (0.49) GRM5CA2SLC6A2ADRA1AHTR2B
SCHEMBL8532996 1.00 GRM5 (0.49) GRM5CA2SLC6A2ADRA1AHTR2B
SCHEMBL6374631 1.00 GRM5 (0.49) GRM5CA2SLC6A2ADRA1AHTR2B
SCHEMBL27504027 0.98 GRM5 (0.48) GRM5CA2SLC6A2ADRA1AHTR2B
SCHEMBL5196221 0.91 GRM5 (0.57) GRM5CA2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3541375-B1 FACTOR XIIA INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-08-23 EP disclosed
EP-3541375-B1 FACTOR XIIA INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-08-23 EP disclosed
US-10875851-B2 Factor XIIa inhibitors MERCK SHARP & DOHME CORP. (US) 2020-12-29 US disclosed
US-10875851-B2 Factor XIIa inhibitors MERCK SHARP & DOHME CORP. (US) 2020-12-29 US disclosed
US-20190352294-A1 Factor XIIa Inhibitors MERCK SHARP & DOHME CORP. (US) 2019-11-21 US disclosed
US-20190352294-A1 Factor XIIa Inhibitors MERCK SHARP & DOHME CORP. (US) 2019-11-21 US disclosed
EP-3541375-A1 FACTOR XIIa INHIBITORS Merck Sharp & Dohme Corp. (US) 2019-09-25 EP disclosed
US-10202371-B2 Oxazolidin-2-one-pyrimidine derivatives and the use thereof as phosphatidylinositol-3-kinase inhibitors NOVARTIS AG (CH) 2019-02-12 US disclosed
US-10202371-B2 Oxazolidin-2-one-pyrimidine derivatives and the use thereof as phosphatidylinositol-3-kinase inhibitors NOVARTIS AG (CH) 2019-02-12 US disclosed
WO-2018093695-A1 FACTOR XIIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-05-24 WO disclosed
US-8431607-B2 Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2013-04-30 US disclosed
US-8431607-B2 Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2013-04-30 US disclosed
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2010-09-16 US disclosed
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2010-09-16 US disclosed
EP-1862457-A2 Fluoropyrrolidines as dipeptidyl peptidase inhibitors SmithKline Beecham Corporation (US) 2007-12-05 EP disclosed
US-6177450-B1 MIXTURE OF PERHYDROISOINDENE COMPOUND AND BENEZAMIDE COMPOUND AVENTIS PHARMA S.A. 2001-01-23 US disclosed
US-5739351-A NEUROKININ A ANTAGONISTS RHONE-POULENC RORER S.A. (FR) 1998-04-14 US disclosed
US-5631279-A ANTAGONISTS OF NEUROKININ A RHONE-POULENC RORER, S.A. (FR) 1997-05-20 US disclosed
US-5508433-A Derivatives of perhydroisoindole and preparation thereof RHONE-POULENC RORER S.A. (FR) 1996-04-16 US disclosed
US-5451601-A Perhydroisoindole derivatives and pharmaceutical compositions containing them RHONE-POULENC RORER S.A. (FR) 1995-09-19 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 (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-10875851-B2 Factor XIIa inhibitors F11, F13B, SERPINC1 GRM5 4456/4885CA2 1180/4885SLC6A2 4702/4885
US-10202371-B2 Oxazolidin-2-one-pyrimidine derivatives and the use thereof as phosphatidylinositol-3-kinase inhibitors PIK3CA, PIK3CD, PIK3CB GRM5 2373/4885CA2 3858/4885SLC6A2 4782/4885
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH GRM5 83/4885CA2 1808/4885SLC6A2 3123/4885
US-20190352294-A1 Factor XIIa Inhibitors F11, F13B, SERPINC1 GRM5 4456/4885CA2 1180/4885SLC6A2 4702/4885

“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.