SCHEMBL2110153

SCHEMBL2110153

CC(C)Nc1ccc2c(n1)O[C@@H](C)CN(C(=O)O)C2

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.34
EDNRB P24530 3/20 0.32
EDNRA P25101 3/20 0.32
NAMPT P43490 2/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
RORC P51449 1/20 0.31
KDM4E B2RXH2 1/20 0.30
KMT2A Q03164 1/20 0.30
PROKR1 Q8TCW9 1/20 0.30
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL2109277 0.79 ABHD6 (0.38) NAMPTNPC1KMT2ATSHRSMN1; SMN2
SCHEMBL3806284 0.78 EDNRB (0.33) EDNRBEDNRANPC1RORCPROKR1
SCHEMBL2110102 0.70 NTRK1 (0.30)
SCHEMBL2110951 0.70 NTRK1 (0.30)
SCHEMBL2110457 0.68 HCAR3 (0.41) HCAR3NAMPTNPC1KMT2A
SCHEMBL2112115 0.67 ESR2 (0.43) NAMPTNPC1MAPTSMN1; SMN2
SCHEMBL3060798 0.65 HCAR3 (0.40) HCAR3NAMPT
SCHEMBL3057601 0.65 HCAR3 (0.40) HCAR3NAMPT
SCHEMBL2905250 0.65 HCAR3 (0.40) HCAR3NAMPT
SCHEMBL19643493 0.63 AKR1B1 (0.43) MAPTKDM4EKMT2ATSHRSMN1; SMN2

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
US-20150238506-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-08-27 US disclosed
US-9079907-B2 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-07-14 US disclosed
EP-2018863-B9 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL (JP) 2015-02-18 EP disclosed
EP-2018863-B1 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL (JP) 2014-08-13 EP disclosed
EP-2742936-A1 Fused heterocyclic compound and use thereof Takeda Pharmaceutical Company Limited (JP) 2014-06-18 EP disclosed
EP-2727585-A1 In-vivo screening method Takeda Pharmaceutical Company Limited (JP) 2014-05-07 EP disclosed
US-20120165312-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SHIRAI JUNYA (JP) 2012-06-28 US disclosed
US-8158617-B2 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-17 US disclosed
US-20090131402-A1 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-05-21 US disclosed
EP-2018863-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-01-28 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 (3 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-20120165312-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF HTR2C, HTR3C, HTR3B HCAR3 137/4885EDNRB 330/4885EDNRA 312/4885
US-20090131402-A1 Fused heterocyclic compound and use thereof HTR2C, HTR3C, HTR3B HCAR3 137/4885EDNRB 330/4885EDNRA 312/4885
US-20150238506-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF HTR2C, HTR3C, HTR3B HCAR3 137/4885EDNRB 330/4885EDNRA 312/4885

“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.