SCHEMBL22862877

SCHEMBL22862877

Cn1cnc2ccc(Cn3cnc(-c4cc(F)ccc4F)c3C3CC3)cc21

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.39
▸ DRD4 P21917 1/20 0.39
▸ CACNA1G O43497 1/20 0.39
▸ CACNA1H O95180 1/20 0.39
▸ CACNA1I Q9P0X4 1/20 0.39
▸ CDK9 P50750 7/20 0.37
▸ BRD4 O60885 1/20 0.36
▸ CNR1 P21554 1/20 0.35
▸ DPP4 P27487 1/20 0.35
▸ QPCT Q16769 2/20 0.35
▸ HDAC4 P56524 2/20 0.35
▸ CHRM1 P11229 1/20 0.34

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
SCHEMBL22862599 0.85 HDAC4 (0.39) SIGMAR1DRD4CACNA1GCACNA1HCACNA1I
SCHEMBL22862777 0.83 KDM4E (0.37) —
SCHEMBL22862654 0.83 HDAC4 (0.39) SIGMAR1DRD4CACNA1GCACNA1HCACNA1I
SCHEMBL22862438 0.83 ALDH1A1 (0.40) QPCT
SCHEMBL22862469 0.81 CYP11B1 (0.39) SIGMAR1CDK9BRD4DPP4
SCHEMBL22862463 0.81 CYP11B1 (0.44) BRD4
SCHEMBL22862658 0.80 MAPK14 (0.37) SIGMAR1DRD4CACNA1GCACNA1HCACNA1I
SCHEMBL22862595 0.78 LMNA (0.39) SIGMAR1DRD4CACNA1GCACNA1HCACNA1I
SCHEMBL22862994 0.76 KDM4E (0.37) —
SCHEMBL22862770 0.76 KDM4E (0.33) SIGMAR1CDK9DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220389028-A1 BAX INHIBITORS AND USES THEREOF CASE WESTERN RESERVE UNIVERSITY 2022-12-08 — — US disclosed
EP-3976009-A2 BAX INHIBITORS AND USES THEREOF Case Western Reserve University (US) 2022-04-06 — — EP disclosed
WO-2021002986-A2 BAX INHIBITORS AND USES THEREOF CASE WESTERN RESERVE UNIVERSITY (US) 2021-01-07 — — 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 (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-20220389028-A1 BAX INHIBITORS AND USES THEREOF BAX, TMBIM6, BCL2 SIGMAR1 3942/4885DRD4 4762/4885CACNA1G 3336/4885

“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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