Sugi Predict

Sugi Predict / Compounds / SCHEMBL5118035

SCHEMBL5118035

SCHEMBL5118035

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

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ NPC1 O15118 4/20 0.50
▸ RAB9A P51151 4/20 0.50
▸ HTR2C P28335 1/20 0.49
▸ CYP2C19 P33261 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ GAA P10253 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ TSHR P16473 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ P2RX4 Q99571 1/20 0.43
▸ PREP P48147 2/20 0.42
▸ DDB1 Q16531 1/20 0.42
▸ CRBN Q96SW2 1/20 0.42

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
SCHEMBL204928 0.89 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9AHTR2CCYP2C19
SCHEMBL5122115 0.89 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AHTR2CCYP2C19
SCHEMBL14012890 0.87 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AHTR2CCYP2C19
SCHEMBL5122959 0.84 HTR2C (0.45) SMN1; SMN2NPC1RAB9AHTR2CCYP2C19
SCHEMBL14609981 0.83 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9AHTR2CCYP2C19
SCHEMBL26113894 0.82 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9AHTR2CCYP2C19
SCHEMBL25364651 0.81 HTR2C (0.43) SMN1; SMN2NPC1RAB9AHTR2CKMT2A
SCHEMBL26115372 0.81 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9AHTR2CCYP2C19
SCHEMBL5127061 0.80 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AHTR2CCYP2C19
SCHEMBL4346054 0.76 SMN1; SMN2 (0.46) 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 29 patents — showing the first 20. 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-7294642-B2 1,3-Diamino-2-hydroxypropane pro-drug derivatives ELAN PHARMACEUTICALS, INC. (US) 2007-11-13 — — US disclosed
US-7232819-B2 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase ISTITUTO DI RICERCHE DI BIOLOGIA P. ANGELETTI S.P.A. (IT) 2007-06-19 — — US disclosed
US-7232819-B2 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase ISTITUTO DI RICERCHE DI BIOLOGIA P. ANGELETTI S.P.A. (IT) 2007-06-19 — — US disclosed
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DI FRANCESCO MARIA E 2007-04-12 — — US disclosed
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DI FRANCESCO MARIA E 2007-04-12 — — US disclosed
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DI FRANCESCO MARIA E 2007-04-12 — — US disclosed
EP-1441734-B1 DIHYDROXYPYRIMIDINE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE ANGELETTI P IST RICHERCHE BIO (IT) 2007-02-28 — — EP disclosed
US-20050075356-A1 Dihydroxypyrimidine carboxamide inhibitors of hiv integrase ISTITUTO DI RICHERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2005-04-07 — — US disclosed
EP-1441734-A1 DIHYDROXYPYRIMIDINE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2004-08-04 — — EP disclosed
WO-2003035076-A1 DIHYDROXYPYRIMIDINE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2003-05-01 — — WO 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 (5 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-20150158882-A1 HETEROCYCLIC COMPOUND TP53, VHL, MGMT SMN1; SMN2 2614/4885NPC1 792/4885RAB9A 1954/4885
US-20050075356-A1 Dihydroxypyrimidine carboxamide inhibitors of hiv integrase DUT, DPYD, TYMP SMN1; SMN2 4143/4885NPC1 2830/4885RAB9A 3221/4885
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DUT, DPYD, TYMP SMN1; SMN2 4190/4885NPC1 3019/4885RAB9A 3288/4885
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.