Sugi Predict

Sugi Predict / Compounds / SCHEMBL80871

SCHEMBL80871

SCHEMBL80871

C=C(C[C@@H]1CCCCN1C(=O)OC(C)(C)C)OC

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.43
▸ PDE8B O95263 1/20 0.43
▸ TSHR P16473 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ATM Q13315 2/20 0.40
▸ EPHX1 P07099 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ HPGD P15428 1/20 0.39
▸ OPRD1 P41143 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ FKBP1A P62942 1/20 0.38
▸ FPR3 P25089 1/20 0.37
▸ FPR2 P25090 1/20 0.37

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
SCHEMBL1046911 0.86 KDM1A (0.44) KDM1APDE8BSMN1; SMN2ATMEPHX1
SCHEMBL1050048 0.86 KDM1A (0.44) KDM1APDE8BSMN1; SMN2ATMEPHX1
SCHEMBL79593 0.86 KDM1A (0.44) KDM1APDE8BSMN1; SMN2ATMEPHX1
SCHEMBL1255187 0.86 HSD17B10 (0.46) KDM1APDE8BSMN1; SMN2ATMEPHX1
SCHEMBL5781434 0.86 HSD17B10 (0.46) KDM1APDE8BSMN1; SMN2ATMEPHX1
SCHEMBL79878 0.86 HSD17B10 (0.46) KDM1APDE8BSMN1; SMN2ATMEPHX1
SCHEMBL5192786 0.85 PDE8B (0.45) KDM1APDE8BSMN1; SMN2ATMEPHX1
SCHEMBL17395340 0.85 PDE8B (0.45) KDM1APDE8BSMN1; SMN2ATMEPHX1
SCHEMBL2123583 0.84 PDE8B (0.41) KDM1APDE8BTSHRSMN1; SMN2ATM
SCHEMBL24876030 0.83 PDE8B (0.46) KDM1APDE8BSMN1; SMN2ATMEPHX1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120095034-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2012-04-19 — — US disclosed
US-20120095034-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2012-04-19 — — US disclosed
US-20120095034-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2012-04-19 — — US disclosed
US-8129384-B2 Imidazo[1,2-a]pyrazines as orexin receptor antagonists GLAXO GROUP LIMITED (GB) 2012-03-06 — — US disclosed
US-8129384-B2 Imidazo[1,2-a]pyrazines as orexin receptor antagonists GLAXO GROUP LIMITED (GB) 2012-03-06 — — US disclosed
US-8093255-B2 Imidazo[1,2-A]pyrimidines as orexin receptor antagonists GLAXO GROUP LIMITED (GB) 2012-01-10 — — US disclosed
US-8093255-B2 Imidazo[1,2-A]pyrimidines as orexin receptor antagonists GLAXO GROUP LIMITED (GB) 2012-01-10 — — US disclosed
US-8093255-B2 Imidazo[1,2-A]pyrimidines as orexin receptor antagonists GLAXO GROUP LIMITED (GB) 2012-01-10 — — US disclosed
US-20110288098-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED 2011-11-24 — — US disclosed
US-20110288098-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED 2011-11-24 — — US disclosed
EP-2358713-A1 IMIDAZOPYRIDAZINE DERIVATIVES ACTING AS OREXIN ANTAGONISTS Glaxo Group Limited (GB) 2011-08-24 — — EP disclosed
EP-2358711-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS Glaxo Group Limited (GB) 2011-08-24 — — EP disclosed
US-20100267730-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-10-21 — — US disclosed
US-20100210667-A1 IMIDAZO [1, 2-C] PYRIMIDIN-2-YLMETHYLPIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS ALVARO GIUSEPPE 2010-08-19 — — US disclosed
US-20100210667-A1 IMIDAZO [1, 2-C] PYRIMIDIN-2-YLMETHYLPIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS ALVARO GIUSEPPE 2010-08-19 — — US disclosed
US-20100160344-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-24 — — US disclosed
US-20100160344-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-24 — — US disclosed
US-20100160345-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-24 — — US disclosed
US-20100160345-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-24 — — US disclosed
US-20090022670-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-01-22 — — 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-20120095034-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, GPR119 KDM1A 484/4885PDE8B 3453/4885TSHR 155/4885
US-20110288098-A1 NOVEL COMPOUNDS BRD4, HDAC6, ITPR3 KDM1A 3792/4885PDE8B 328/4885TSHR 2145/4885
US-20090022670-A1 NOVEL COMPOUNDS UGT1A1, UGT2B7, ABCB1 KDM1A 2858/4885PDE8B 563/4885TSHR 1804/4885
US-20100160344-A1 NOVEL COMPOUNDS BRD4, HDAC6, ENTPD5 KDM1A 3905/4885PDE8B 227/4885TSHR 3075/4885
US-20100267730-A1 NOVEL COMPOUNDS BRD4, DPP4, ITPR3 KDM1A 3997/4885PDE8B 273/4885TSHR 2364/4885
US-20100210667-A1 IMIDAZO [1, 2-C] PYRIMIDIN-2-YLMETHYLPIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY2R KDM1A 754/4885PDE8B 2429/4885TSHR 142/4885
US-20100160345-A1 NOVEL COMPOUNDS BRD4, HDAC6, ITPR3 KDM1A 3792/4885PDE8B 328/4885TSHR 2145/4885

“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.

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