SCHEMBL22822845

SCHEMBL22822845

COC1CC(CCn2ccc3ccc(N4CCN(c5ccccc5C)CC4)nc32)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ PARP1 P09874 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ ADRA1B P35368 2/20 0.33
▸ ADRA1D P25100 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ OPRL1 P41146 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ NTSR1 P30989 1/20 0.32
▸ TRPV1 Q8NER1 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HTR7 P34969 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32

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
SCHEMBL21274394 0.85 NPC1 (0.37) NPC1RAB9APARP1DRD2DRD3
SCHEMBL21274036 0.83 NPC1 (0.35) NPC1RAB9APARP1ADRA1BADRA1D
SCHEMBL21268787 0.80 PARP1 (0.42) NPC1RAB9APARP1DRD2DRD3
SCHEMBL21285495 0.80 PARP1 (0.42) NPC1RAB9APARP1DRD2DRD3
SCHEMBL21274058 0.79 SLC18A3 (0.36) NPC1RAB9APARP1DRD2DRD3
SCHEMBL21281500 0.78 ADRA1A (0.45) PARP1DRD2DRD3ADRA1BADRA1D
SCHEMBL21273954 0.77 PARP1 (0.45) PARP1DRD2DRD3ADRA1BADRA1D
SCHEMBL21274106 0.77 PARP1 (0.35) NPC1RAB9APARP1DRD2DRD3
SCHEMBL21273937 0.76 ADRA1A (0.37) NPC1RAB9APARP1DRD2DRD3
SCHEMBL21281585 0.75 PARP1 (0.44) NPC1RAB9APARP1ADRA1BADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200399268-A1 Pharmaceutical 6,5 Heterobicyclic Ring Derivatives EVOTEC (UK) LTD (GB) 2020-12-24 — — 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 (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-20200399268-A1 Pharmaceutical 6,5 Heterobicyclic Ring Derivatives STING1, IRF3, NFATC1 NPC1 533/4885RAB9A 685/4885PARP1 158/4885

“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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