SCHEMBL204928

SCHEMBL204928

O=C(OCc1ccccc1)N1C2CCC1(C(=O)Cl)CC2

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
HTR2C P28335 1/20 0.47
ALDH1A1 P00352 1/20 0.46
CYP2C19 P33261 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM1A O60341 1/20 0.41
P2RX4 Q99571 1/20 0.41
PREP P48147 1/20 0.41
FKBP1A P62942 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
SCHEMBL5118035 0.89 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AHTR2CCYP2C19
SCHEMBL5122115 0.87 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AHTR2CCYP2C19
SCHEMBL14012890 0.85 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AHTR2CCYP2C19
SCHEMBL5122959 0.82 HTR2C (0.45) SMN1; SMN2NPC1RAB9AHTR2CCYP2C19
SCHEMBL14609981 0.81 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9AHTR2CCYP2C19
SCHEMBL26113894 0.80 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9AHTR2CCYP2C19
SCHEMBL204641 0.80 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9AHTR2CALDH1A1
SCHEMBL253427 0.79 HTR2C (0.48) SMN1; SMN2NPC1RAB9AHTR2CALDH1A1
SCHEMBL26115372 0.79 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9AHTR2CCYP2C19
SCHEMBL5127061 0.78 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AHTR2CCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3533797-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2023-12-20 EP disclosed
EP-3533797-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2019-09-04 EP disclosed
EP-2540728-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2019-04-10 EP disclosed
US-20170209452-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2017-07-27 US disclosed
US-9655900-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-05-23 US disclosed
US-20160310494-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2016-10-27 US disclosed
US-9388195-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-07-12 US disclosed
US-20150158882-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL (JP) 2015-06-11 US disclosed
US-8933069-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-01-13 US disclosed
US-8921354-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-12-30 US disclosed
US-20140235615-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-08-21 US disclosed
US-20140228352-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-08-14 US disclosed
US-8722660-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-05-13 US disclosed
US-20130029969-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-31 US disclosed
EP-2540728-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2013-01-02 EP disclosed
US-8088760-B2 Benzoxazole carboxamide inhibitors of poly(ADP-ribose)polymerase (PARP) BIOMARIN PHARMACEUTICAL INC. (US) 2012-01-03 US disclosed
EP-2247600-A2 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) Lead Therapeutics, Inc. (US) 2010-11-10 EP disclosed
WO-2009099736-A2 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-08-13 WO disclosed
US-20090197863-A1 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-08-06 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 (7 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-20160310494-A1 HETEROCYCLIC COMPOUND TP53, VHL, MGMT SMN1; SMN2 2614/4885NPC1 792/4885RAB9A 1954/4885
US-20090197863-A1 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) PARP1, PARP2, PARP11 SMN1; SMN2 1318/4885NPC1 2716/4885RAB9A 3649/4885
US-20130029969-A1 HETEROCYCLIC COMPOUND TP53, VHL, MGMT SMN1; SMN2 2614/4885NPC1 792/4885RAB9A 1954/4885
US-20150158882-A1 HETEROCYCLIC COMPOUND TP53, VHL, MGMT SMN1; SMN2 2614/4885NPC1 792/4885RAB9A 1954/4885
US-20140228352-A1 HETEROCYCLIC COMPOUND TP53, VHL, MGMT SMN1; SMN2 2614/4885NPC1 792/4885RAB9A 1954/4885
US-20140235615-A1 HETEROCYCLIC COMPOUND TP53, VHL, MGMT SMN1; SMN2 2614/4885NPC1 792/4885RAB9A 1954/4885
US-20170209452-A1 HETEROCYCLIC COMPOUND TP53, VHL, MGMT SMN1; SMN2 2614/4885NPC1 792/4885RAB9A 1954/4885

“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.