SCHEMBL10182023

SCHEMBL10182023

CC(C)(C)OC(=O)N1CC[C@H](c2cccc(Br)c2)[C@@H](C(=O)O)C1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.52
PDE4B Q07343 2/20 0.49
RORC P51449 3/20 0.44
USP30 Q70CQ3 3/20 0.44
GPR119 Q8TDV5 2/20 0.44
NOTCH1 P46531 4/20 0.42
HRH3 Q9Y5N1 1/20 0.42
STS P08842 1/20 0.41

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
SCHEMBL10277789 0.90 PDE4B (0.57) TACR1PDE4BRORCUSP30
SCHEMBL10277788 0.90 PDE4B (0.57) TACR1PDE4BRORCUSP30
SCHEMBL10277792 0.90 PDE4B (0.57) TACR1PDE4BRORCUSP30
SCHEMBL2242591 0.88 GPR119 (0.54) TACR1PDE4BRORCUSP30GPR119
SCHEMBL2248421 0.88 GPR119 (0.54) TACR1PDE4BRORCUSP30GPR119
SCHEMBL8265507 0.88 TACR1 (0.53) TACR1PDE4BRORCUSP30GPR119
SCHEMBL2242454 0.88 GPR119 (0.54) TACR1PDE4BRORCUSP30GPR119
SCHEMBL2240929 0.88 GPR119 (0.54) TACR1PDE4BRORCUSP30GPR119
SCHEMBL953506 0.87 TACR1 (0.61) TACR1PDE4BRORCUSP30GPR119
SCHEMBL2239870 0.87 TACR1 (0.61) TACR1PDE4BRORCUSP30GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178559-B2 Organic compounds NOVARTIS AG (CH) 2012-05-15 US disclosed
US-8178559-B2 Organic compounds NOVARTIS AG (CH) 2012-05-15 US disclosed
US-8084450-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-8084450-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-20110263560-A1 Organic Compounds NOVARTIS AG (CH) 2011-10-27 US disclosed
US-20110263560-A1 Organic Compounds NOVARTIS AG (CH) 2011-10-27 US disclosed
US-20090312304-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-17 US disclosed
US-20090312304-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-17 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-20110263560-A1 Organic Compounds REN, ACE, OTC TACR1 433/4885PDE4B 457/4885RORC 1096/4885
US-20090312304-A1 ORGANIC COMPOUNDS REN, ACE, PIGO TACR1 475/4885PDE4B 543/4885RORC 1538/4885

“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.