SCHEMBL26017358

SCHEMBL26017358

COc1ccc2sc3c(c2c1)CCN(C)CC3

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD1 P21728 11/20 0.48
▸ DRD5 P21918 11/20 0.48
▸ DRD2 P14416 10/20 0.48
▸ DRD3 P35462 10/20 0.48
▸ DRD4 P21917 5/20 0.47
▸ CDK1 P06493 1/20 0.45
▸ MAPKAPK2 P49137 1/20 0.45
▸ USP2 O75604 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ CYP17A1 P05093 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ MAOA P21397 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41

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
SCHEMBL31354922 0.89 DRD1 (0.51) DRD1DRD5DRD2DRD3DRD4
SCHEMBL25895602 0.89 DRD1 (0.51) DRD1DRD5DRD2DRD3DRD4
SCHEMBL26838912 0.79 DRD1 (0.49) DRD1DRD5DRD2DRD3DRD4
SCHEMBL26838844 0.78 MAPKAPK2 (0.52) CDK1MAPKAPK2CYP1A2CYP2D6ALOX15
SCHEMBL26838913 0.76 DRD2 (0.46) DRD1DRD5DRD2DRD3DRD4
SCHEMBL31354914 0.75 DRD2 (0.75) DRD1DRD5DRD2DRD3DRD4
SCHEMBL25895608 0.75 DRD2 (0.75) DRD1DRD5DRD2DRD3DRD4
SCHEMBL31355006 0.73 DRD2 (0.46) DRD1DRD5DRD2DRD3DRD4
SCHEMBL25895761 0.73 DRD2 (0.46) DRD1DRD5DRD2DRD3DRD4
SCHEMBL14438128 0.72 CYP17A1 (0.47) CYP17A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230382919-A1 OXA- IBOGAINE INSPIRED ANALOGUES FOR TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-11-30 — — US disclosed
WO-2023122135-A1 SEROTONIN RECEPTOR AGONISTS AND METHODS OF MAKING AND USING THE SAME KULEON LLC (US) 2023-06-29 — — 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-20230382919-A1 OXA- IBOGAINE INSPIRED ANALOGUES FOR TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS GRIA4, GRIA3, GRIN3A DRD1 109/4885DRD5 210/4885DRD2 80/4885

“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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