SCHEMBL2109277

SCHEMBL2109277

C[C@H]1CN(C(=O)O)Cc2ccc(Cl)nc2O1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABHD6 Q9BV23 1/20 0.38
NPC1 O15118 1/20 0.34
POLB P06746 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 3/20 0.33
HPGD P15428 2/20 0.33
NAMPT P43490 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
KCNH2 Q12809 1/20 0.32
NTRK1 P04629 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.31
KMT2A Q03164 1/20 0.31
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31
MAPK1 P28482 1/20 0.31
FKBP1A P62942 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL3750856 0.81 ABHD6 (0.36) ABHD6POLBTDP1L3MBTL1ALDH1A1
SCHEMBL2110153 0.79 HCAR3 (0.34) NPC1NAMPTSMN1; SMN2KMT2ATSHR
SCHEMBL28924213 0.79 MAPT (0.36) ABHD6NPC1POLBTDP1ALDH1A1
SCHEMBL3806284 0.78 EDNRB (0.33) NPC1
SCHEMBL2109285 0.74 CYP1A2 (0.39) NPC1KMT2A
SCHEMBL3746487 0.74 NOTUM (0.39) ABHD6POLBALDH1A1HPGD
SCHEMBL3746483 0.74 NOTUM (0.39) ABHD6POLBALDH1A1HPGD
SCHEMBL2111759 0.74 ABHD6 (0.40) ABHD6HPGDNAMPTSMN1; SMN2
SCHEMBL29098305 0.73 ABHD6 (0.39) ABHD6POLBTDP1L3MBTL1HPGD
SCHEMBL29264434 0.72 ABHD6 (0.38) ABHD6POLBTDP1L3MBTL1HPGD

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 ABHD6 4125/4885NPC1 3084/4885POLB 4618/4885
US-20090131402-A1 Fused heterocyclic compound and use thereof HTR2C, HTR3C, HTR3B ABHD6 4125/4885NPC1 3084/4885POLB 4618/4885
US-20150238506-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF HTR2C, HTR3C, HTR3B ABHD6 4125/4885NPC1 3084/4885POLB 4618/4885

“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.