SCHEMBL536987

SCHEMBL536987

COc1ccc(CNCCCO)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.74
KDM4E B2RXH2 2/20 0.64
POLB P06746 1/20 0.64
SCN8A Q9UQD0 1/20 0.57
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
ATM Q13315 1/20 0.55
GAA P10253 1/20 0.54
SLC2A1 P11166 1/20 0.54
LMNA P02545 2/20 0.52
ALDH1A1 P00352 2/20 0.51
PKM P14618 1/20 0.51
MITF O75030 1/20 0.50
CNR1 P21554 1/20 0.50
CNR2 P34972 1/20 0.50
GPR35 Q9HC97 1/20 0.50
GPR55 Q9Y2T6 1/20 0.50
XBP1 P17861 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50

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
SCHEMBL1779582 0.89 CHRM2 (0.68) CHRM2KDM4EPOLBSCN8AMEN1
SCHEMBL22839742 0.89 CHRM2 (0.92) CHRM2KDM4ESCN8AMEN1KMT2A
SCHEMBL2930997 0.89 CHRM2 (0.85) CHRM2KDM4ESCN8AMEN1KMT2A
SCHEMBL7981763 0.88 CHRM2 (0.84) CHRM2KDM4EPOLBSCN8AMEN1
Hydrochloric Acid SCHEMBL27669851 0.87 CHRM2 (0.66) CHRM2KDM4EPOLBSCN8AMEN1
SCHEMBL2938432 0.85 CHRM2 (0.78) CHRM2KDM4ESCN8AMEN1KMT2A
SCHEMBL10382814 0.84 CHRM2 (0.77) CHRM2KDM4ESCN8AMEN1KMT2A
SCHEMBL4919379 0.83 CHRM2 (0.81) CHRM2KDM4ESCN8AMEN1KMT2A
SCHEMBL5040557 0.83 CHRM2 (0.81) CHRM2KDM4ESCN8AMEN1KMT2A
SCHEMBL4914700 0.83 CHRM2 (0.81) CHRM2KDM4ESCN8AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116648248-B Aromatic compound, pharmaceutical composition containing same and application thereof 成都茵创园医药科技有限公司 2025-04-15 CN disclosed
US-20240050428-A1 COMPOUNDS AND METHODS OF TREATING CANCERS CULLGEN (SHANGHAI), INC. (CN) 2024-02-15 US disclosed
CN-116648248-A Aromatic compound, pharmaceutical composition containing same and application thereof 成都茵创园医药科技有限公司 2023-08-25 CN disclosed
EP-4225749-A1 COMPOUNDS AND METHODS OF TREATING CANCERS Cullgen (Shanghai), Inc. (CN) 2023-08-16 EP disclosed
CN-116583509-A Compounds and methods for treating cancer 上海睿跃生物科技有限公司 2023-08-11 CN disclosed
WO-2022161414-A1 AROMATIC COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND APPLICATION THEREOF 成都茵创园医药科技有限公司 2022-08-04 WO disclosed
WO-2022073469-A1 COMPOUNDS AND METHODS OF TREATING CANCERS CULLGEN (SHANGHAI) , INC. (CN) 2022-04-14 WO disclosed
US-9108957-B2 3-[1,4]oxazepane-4-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-08-18 US disclosed
US-9108957-B2 3-[1,4]oxazepane-4-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-08-18 US disclosed
US-20120095216-A1 3-[1,4]OXAZEPANE-4-PYRIMIDONE DERIVATIVES SANOFI (FR) 2012-04-19 US disclosed
US-20120095216-A1 3-[1,4]OXAZEPANE-4-PYRIMIDONE DERIVATIVES SANOFI (FR) 2012-04-19 US disclosed
EP-2414349-A1 3-Ý1,4¨OXAZEPANE-4-PYRIMIDONE DERIVATIVES Mitsubishi Tanabe Pharma Corporation (JP) 2012-02-08 EP disclosed
WO-2010114179-A1 3-[1,4]OXAZEPANE-4-PYRIMIDONE DERIVATIVES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-10-07 WO disclosed
WO-2010114179-A1 3-[1,4]OXAZEPANE-4-PYRIMIDONE DERIVATIVES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-10-07 WO disclosed
US-7335659-B2 Substituted 10-aryl-11H-benzo[b]fluorenes and 7-aryl-5, 6-dihydro-benzo[a]anthracenes for selective effects on estrogen receptors N.V. ORGANON (NL) 2008-02-26 US disclosed
US-7335659-B2 Substituted 10-aryl-11H-benzo[b]fluorenes and 7-aryl-5, 6-dihydro-benzo[a]anthracenes for selective effects on estrogen receptors N.V. ORGANON (NL) 2008-02-26 US disclosed
EP-0517877-A1 NOVEL 3(2H)-PYRIDAZINONES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1992-12-16 EP disclosed
WO-1992012137-A1 NOVEL 3(2H)-PYRIDAZINONES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME Richter Gedeon Vegyészeti Gyár Rt. (HU) 1992-07-23 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 (2 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-20240050428-A1 COMPOUNDS AND METHODS OF TREATING CANCERS GSPT1, GGT1, VHL CHRM2 4734/4885KDM4E 2150/4885POLB 1606/4885
US-20120095216-A1 3-[1,4]OXAZEPANE-4-PYRIMIDONE DERIVATIVES PSEN1, MAPT, PSEN2 CHRM2 732/4885KDM4E 2054/4885POLB 2993/4885

“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.