SCHEMBL17992090

SCHEMBL17992090

CN(C)Cc1cccc(CNC2=Nc3ccccc3NC23CCNCC3)c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ACAT2 Q9BWD1 3/20 0.36
▸ NOS1 P29475 2/20 0.34
▸ NOS2 P35228 1/20 0.34
▸ HDAC4 P56524 1/20 0.31
▸ MEF2D Q14814 1/20 0.31
▸ CYP1A2 P05177 3/20 0.31
▸ CYP3A4 P08684 3/20 0.31
▸ CYP2D6 P10635 3/20 0.31
▸ MAPK1 P28482 2/20 0.31
▸ CYP2C19 P33261 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ CYP2C9 P11712 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL17992029 0.91 NOS1 (0.35) ACAT2NOS1NOS2CYP1A2CYP3A4
SCHEMBL17992042 0.91 ACAT2 (0.33) ACAT2TSHR
SCHEMBL17992082 0.89 NOS1 (0.34) ACAT2NOS1NOS2CYP1A2CYP3A4
SCHEMBL17992111 0.89 NOS1 (0.34) NOS1NOS2CYP1A2CYP3A4CYP2D6
SCHEMBL17992078 0.88 ACAT2 (0.36) ACAT2NOS1HDAC4MEF2DCYP1A2
SCHEMBL17757292 0.86 ACAT2 (0.38) ACAT2
SCHEMBL17757294 0.86 CTSB (0.39) ACAT2CYP1A2CYP3A4CYP2D6MAPK1
SCHEMBL17757283 0.86 ACAT2 (0.36) ACAT2
SCHEMBL17757203 0.85 ACAT2 (0.38) ACAT2MAPK1CYP2C19KDM4ECYP2C9
SCHEMBL17757739 0.84 ACAT2 (0.37) ACAT2NOS1NOS2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE48992-E1 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death HELMHOLTZ ZENTRUM MÜNCHEN-DEUTSCHES FORSCHUNGSZENTRUM FÜR GESUNDHEIT UND UMWELT (GMBH) (DE) 2022-03-29 — — US disclosed
US-10647687-B2 Spiropyrazine derivatives as inhibitors of non-apoptotic regulated cell-death HELMHOLTZ ZENTRUM MÜNCHEN DEUTSCHES FORSCHUNGSZENTRUM FÜR GESUNDHEIT UND UMWELT (GMBH) (DE) 2020-05-12 — — US disclosed
US-10280179-B2 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death HELMHOLTZ ZENTRUM MÜNCHEN DEUTSCHES FORSCHUNGZENTRUM FÜR GESUNDHEIT UND UMWELT (GMBH) (DE) 2019-05-07 — — US disclosed
US-20180065982-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH HELMHOLTZ ZENTRUM MUNCHEN DEUTSCHES FORSCHUNGSZENTRUM FUR GESUNDHEIT UND UMWELT (GMBH) (DE) 2018-03-08 — — US disclosed
US-9802956-B2 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death HELMHOLTZ ZENTRUM MUNCHEN-DEUTSCHES FORSCHUNGSZENTRUM FUR GESUNDHEIT UND UMWELT (GMBH) (DE) 2017-10-31 — — US disclosed
US-20160222025-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH HELMHOLTZ ZENTRUM MUNCHEN (DE) 2016-08-04 — — 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 (4 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-10647687-B2 Spiropyrazine derivatives as inhibitors of non-apoptotic regulated cell-death AIFM2, BAD, AIFM1 ACAT2 1935/4885NOS1 952/4885NOS2 1464/4885
US-20160222025-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 ACAT2 1509/4885NOS1 1007/4885NOS2 1559/4885
US-10280179-B2 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death AIFM2, BAD, AIFM1 ACAT2 1431/4885NOS1 1016/4885NOS2 1539/4885
US-20180065982-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 ACAT2 1509/4885NOS1 1007/4885NOS2 1559/4885

“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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