SCHEMBL4187348

SCHEMBL4187348

O=C1NC(=O)C2C(=O)NC(=O)C1C21CCN(Cc2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
CYP2C9 P11712 1/20 0.53
TSHR P16473 1/20 0.53
CYP2C19 P33261 1/20 0.53
KMT2A Q03164 1/20 0.53
HIF1A Q16665 1/20 0.53
SIGMAR1 Q99720 7/20 0.52
OPRL1 P41146 2/20 0.50
OPRM1 P35372 2/20 0.50
OPRD1 P41143 1/20 0.50
OPRK1 P41145 1/20 0.50
POLB P06746 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
DRD2 P14416 3/20 0.48
HTR2A P28223 2/20 0.48
HTR2C P28335 2/20 0.48
HTR2B P41595 2/20 0.48

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
SCHEMBL2202948 0.81 OPRM1 (0.51) CYP3A4HSD17B10MEN1ALDH1A1CYP2C9
SCHEMBL5558326 0.79 OPRL1 (0.48) CYP3A4HSD17B10MEN1ALDH1A1CYP2C9
SCHEMBL18845203 0.78 ACHE (0.57) SIGMAR1OPRL1OPRM1OPRK1DRD2
SCHEMBL13131356 0.77 OPRM1 (0.47) CYP3A4HSD17B10MEN1ALDH1A1CYP2C9
SCHEMBL484649 0.77 OPRM1 (0.47) CYP3A4HSD17B10MEN1ALDH1A1CYP2C9
SCHEMBL18845206 0.76 CYP2D6 (0.48) CYP3A4HSD17B10MEN1ALDH1A1CYP2C9
SCHEMBL6621178 0.75 KMT2A (0.54) CYP3A4MEN1ALDH1A1CYP2C9TSHR
SCHEMBL2918565 0.74 SIGMAR1 (0.65) CYP3A4HSD17B10MEN1ALDH1A1CYP2C9
SCHEMBL6777379 0.73 SIGMAR1 (0.60) CYP3A4HSD17B10MEN1ALDH1A1CYP2C9
SCHEMBL11031885 0.73 FUCA1 (0.51) ALDH1A1SIGMAR1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230141887-A1 CRYSTAL FORM OF DIAZASPIROPYRAN COMPOUND MEDSHINE DISCOVERY INC. (CN) 2023-05-11 US disclosed
EP-3165530-B1 SPIROCYCLIC ARYL PHOSPHORUS OXIDE AND ARYL PHOSPHORUS SULFIDE QILU PHARMACEUTICAL CO LTD (CN) 2018-12-05 EP disclosed
US-10053477-B2 Spirocyclic aryl phosphorus oxide and aryl phosphorus sulfide QILU PHARMACEUTICAL CO., LTD. (CN) 2018-08-21 US disclosed
US-20170129909-A1 SPIROCYCLIC ARYL PHOSPHORUS OXIDE AND ARYL PHOSPHORUS SULFIDE QUILU PHARMACEUTICAL CO., LTD. (CN) 2017-05-11 US disclosed
US-20170129909-A1 SPIROCYCLIC ARYL PHOSPHORUS OXIDE AND ARYL PHOSPHORUS SULFIDE QUILU PHARMACEUTICAL CO., LTD. (CN) 2017-05-11 US disclosed
EP-3165530-A1 SPIROCYCLIC ARYL PHOSPHORUS OXIDE AND ARYL PHOSPHORUS SULFIDE Qilu Pharmaceutical Co., Ltd (CN) 2017-05-10 EP disclosed
EP-3165530-A1 SPIROCYCLIC ARYL PHOSPHORUS OXIDE AND ARYL PHOSPHORUS SULFIDE Qilu Pharmaceutical Co., Ltd (CN) 2017-05-10 EP disclosed
WO-2016000581-A1 SPIROCYCLIC ARYL PHOSPHORUS OXIDE AND ARYL PHOSPHORUS SULFIDE 南京明德新药研发股份有限公司 2016-01-07 WO disclosed
WO-2009097405-A2 COMPOUNDS AND METHODS FOR PREPARING DIAZASPIRO DERIVATIVES NEUROGEN CORPORATION (US) 2009-08-06 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 (3 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-20170129909-A1 SPIROCYCLIC ARYL PHOSPHORUS OXIDE AND ARYL PHOSPHORUS SULFIDE ALK, ROS1, ARSA CYP3A4 1469/4885HSD17B10 1612/4885MEN1 3991/4885
US-10053477-B2 Spirocyclic aryl phosphorus oxide and aryl phosphorus sulfide ALK, ROS1, ARSA CYP3A4 1469/4885HSD17B10 1612/4885MEN1 3991/4885
US-20230141887-A1 CRYSTAL FORM OF DIAZASPIROPYRAN COMPOUND GOT1, ORMDL3, PKD1 CYP3A4 417/4885HSD17B10 1314/4885MEN1 779/4885

“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.