SCHEMBL1558091

SCHEMBL1558091

CC(=O)OCc1cccc(C)n1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 1/20 0.43
DPP4 P27487 1/20 0.43
KDM4E B2RXH2 2/20 0.42
P2RX7 Q99572 1/20 0.42
HSD17B10 Q99714 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RAB9A P51151 1/20 0.41
HSD17B3 P37058 1/20 0.40
GRM5 P41594 2/20 0.39
GRM1 Q13255 1/20 0.39
PDE10A Q9Y233 1/20 0.38
CCR1 P32246 1/20 0.38
CCR8 P51685 1/20 0.38

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
SCHEMBL2660453 0.95 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AOPRM1OPRD1
SCHEMBL2660455 0.95 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AOPRM1OPRD1
SCHEMBL2662610 0.94 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AOPRM1OPRD1
SCHEMBL6984472 0.82 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP2C19KDM4EHSD17B10
SCHEMBL6971769 0.82 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP2C19KDM4EHSD17B10
SCHEMBL13211474 0.82 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP2C19KDM4EHSD17B10
SCHEMBL6973532 0.81 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP2C19KDM4EHSD17B10
SCHEMBL6974344 0.81 ALDH1A1 (0.46) ALDH1A1KMT2ACYP1A2CYP2C19KDM4E
SCHEMBL16415765 0.81 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP2C19KDM4EHSD17B10
SCHEMBL946915 0.81 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP2C19KDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2963043-B1 TETRAHYDROIMIDAZO[1,5-D][1,4]OXAZEPINE DERIVATIVE EISAI R&D MAN CO LTD (JP) 2018-05-30 EP disclosed
EP-2963043-B1 TETRAHYDROIMIDAZO[1,5-D][1,4]OXAZEPINE DERIVATIVE EISAI R&D MAN CO LTD (JP) 2018-05-30 EP disclosed
CN-105008375-B Tetrahydroimidazo [1,5-d ] [1,4] oxazepine derivatives 卫材R&D管理有限公司 2016-12-28 CN disclosed
US-9458176-B2 Tetrahydroimidazo(1,5-D)[1,4]oxazepine derivative EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-10-04 US disclosed
US-9458176-B2 Tetrahydroimidazo(1,5-D)[1,4]oxazepine derivative EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-10-04 US disclosed
US-9458176-B2 Tetrahydroimidazo(1,5-D)[1,4]oxazepine derivative EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-10-04 US disclosed
EP-2963043-A1 TETRAHYDROIMIDAZO[1,5-D][1,4]OXAZEPINE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2016-01-06 EP disclosed
US-20150344467-A1 5- AND 6-MEMBERED HETEROCYCLIC COMPOUNDS FMR LLC 2015-12-03 US disclosed
US-20150344467-A1 5- AND 6-MEMBERED HETEROCYCLIC COMPOUNDS FMR LLC 2015-12-03 US disclosed
US-20150344467-A1 5- AND 6-MEMBERED HETEROCYCLIC COMPOUNDS FMR LLC 2015-12-03 US disclosed
US-6255305-B1 PSYCHOLOGICAL DISORDERS MERCK SHARP & DOHME LIMITED (GB) 2001-07-03 US disclosed
US-6197768-B1 THERAPY, PREVENTION ISCHEMIC HEART DISEASE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2001-03-06 US disclosed
EP-1048666-A1 NOVEL COMPOUNDS HAVING cGMP-PDE INHIBITORY EFFECT MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-11-02 EP disclosed
CN-1251589-A Substituted triazolopyridazine derivatives as ligands for GABA receptors MERCK SHARP & DOHME (GB) 2000-04-26 CN disclosed
EP-0992240-A1 THERAPEUTIC AGENT FOR ERECTION FAILURE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-04-12 EP disclosed
EP-0985671-A1 PYRIDOCARBAZOLE DERIVATIVES HAVING cGMP-PDE INHIBITORY EFFECT MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-03-15 EP disclosed
US-6018046-A SELECTIVE ACTION IN INHIBITING CYCLIC GMP-PHOSPHODIESTERASE (CGMP-PDE); PHARMACEUTICALS FOR TREATING DISEASES AGAINST WHICH THE INHIBITORY ACTION IS EFFECTIVE, SUCH AS PULMONARY HYPERTENSION MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-01-25 US disclosed
EP-0915875-A2 SUBSTITUTED TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 1999-05-19 EP disclosed
WO-1998004559-A2 SUBSTITUTED TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 1998-02-05 WO disclosed
CN-1034539-A The preparation method of hydrazides and hydroxamic acid derivs SANDOZ LTD (CH) 1989-08-09 CN 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 (1 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-20150344467-A1 5- AND 6-MEMBERED HETEROCYCLIC COMPOUNDS PDE7A, ACHE, PDE5A ALDH1A1 986/4885MEN1 3552/4885KMT2A 2855/4885

“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.