SCHEMBL2490342

SCHEMBL2490342

COc1ccc(CN[C@@H](C)C(N)=O)c(OC)c1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.56
MAOA P21397 1/20 0.51
TAS1R3 Q7RTX0 2/20 0.50
TAS1R1 Q7RTX1 2/20 0.50
LMNA P02545 1/20 0.49
CD274 Q9NZQ7 1/20 0.49
MAOB P27338 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
DPP7 Q9UHL4 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL13402596 0.90 APLNR (0.58) APLNRTAS1R3TAS1R1LMNACD274
SCHEMBL29589093 0.87 CD274 (0.61) APLNRTAS1R3TAS1R1LMNACD274
SCHEMBL29589384 0.87 CD274 (0.61) APLNRTAS1R3TAS1R1LMNACD274
SCHEMBL8803694 0.81 HPGD (0.57) MAOAMAOBMEN1KMT2AALDH1A1
SCHEMBL24399602 0.81 APLNR (0.65) APLNRTAS1R3TAS1R1LMNAMEN1
SCHEMBL4105525 0.81 APLNR (0.69) APLNRTAS1R3TAS1R1LMNAMEN1
SCHEMBL2998236 0.80 APLNR (0.59) APLNRTAS1R3TAS1R1LMNACD274
SCHEMBL2248442 0.80 TAS1R3 (0.50) APLNRTAS1R3TAS1R1LMNACD274
SCHEMBL14920659 0.80 APLNR (0.49) APLNRTAS1R3TAS1R1LMNAMEN1
SCHEMBL3361891 0.80 APLNR (0.63) APLNRTAS1R3TAS1R1MAOBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2380881-B1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND SUMITOMO DAINIPPON PHARMA CO LTD (JP) 2017-01-25 EP disclosed
US-20130303535-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND Sumitomo Pharma Co., Ltd. (JP) 2013-11-14 US disclosed
US-8471038-B2 Bicyclic heterocyclic compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-06-25 US disclosed
US-20110294804-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-12-01 US disclosed
EP-2380881-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2011-10-26 EP 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-20110294804-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND OPRL1, SCN1B, OPRD1 APLNR 1261/4885MAOA 802/4885TAS1R3 1304/4885
US-20130303535-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND OPRL1, SCN1B, OPRD1 APLNR 1261/4885MAOA 802/4885TAS1R3 1304/4885

“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.