SCHEMBL22166394

SCHEMBL22166394

CCCC(C)(CC)N1Cc2cnc(N)nc2C1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DRD3 P35462 2/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ KDR P35968 11/20 0.35
▸ PDGFRB P09619 8/20 0.35
▸ NUDT1 P36639 1/20 0.33
▸ PIKFYVE Q9Y2I7 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HSP90AB1 P08238 1/20 0.31

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
SCHEMBL16639808 0.81 PDGFRB (0.38) DRD3CYP2D6DRD2KDM4EKDR
SCHEMBL23488680 0.77 NAMPT (0.31) —
SCHEMBL22652330 0.74 NAMPT (0.40) DRD3DRD2
SCHEMBL15242530 0.71 DRD3 (0.40) DRD3CYP2D6DRD2KDM4EKDR
SCHEMBL25138304 0.71 PDGFRB (0.46) DRD3CYP2D6DRD2KDRPDGFRB
SCHEMBL22867647 0.71 ALDH1A1 (0.40) CYP2D6KDM4EMEN1KMT2AHSP90AB1
SCHEMBL16644224 0.70 HRH4 (0.47) DRD3CYP2D6DRD2KDM4EKDR
SCHEMBL26622982 0.67 KDM4E (0.36) KDM4ENUDT1HSP90AB1
SCHEMBL28342208 0.65 KDR (0.37) DRD3CYP2D6DRD2KDM4EKDR
SCHEMBL21524570 0.64 PTGS1 (0.37) KDM4E

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-10730889-B2 Amido spirocyclic amide and sulfonamide derivatives FORMA TM, LLC (US) 2020-08-04 — — US disclosed
US-10696692-B2 Amido-benzyl sulfone and sulfoxide derivates Valo Health, LLC 2020-06-30 — — 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 (2 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-10696692-B2 Amido-benzyl sulfone and sulfoxide derivates STS, SQOR, SULT1E1 DRD3 2447/4885CYP2D6 352/4885DRD2 2991/4885
US-10730889-B2 Amido spirocyclic amide and sulfonamide derivatives STS, AADAC, SULT2A1 DRD3 4161/4885CYP2D6 562/4885DRD2 3986/4885

“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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