SCHEMBL20651755

SCHEMBL20651755

CC(C)N1Cc2ccc(N)nc2C1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ CHRNB2 P17787 1/20 0.32
▸ CHRNA4 P43681 1/20 0.32
▸ NOS3 P29474 1/20 0.31
▸ NOS1 P29475 1/20 0.31
▸ NOS2 P35228 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ SMN1; SMN2 Q16637 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
SCHEMBL27251619 0.80 EGFR (0.32) —
SCHEMBL20651750 0.79 KCNH2 (0.32) —
SCHEMBL16644163 0.77 HTR1D (0.36) DRD2DRD3CHRNB2CHRNA4NOS3
SCHEMBL19504663 0.76 DRD2 (0.36) DRD2DRD3
SCHEMBL20651756 0.75 SLC6A9 (0.42) —
SCHEMBL29592019 0.74 CDK4 (0.35) DRD2DRD3CHRNB2CHRNA4MAPT
SCHEMBL16639804 0.73 DRD2 (0.34) DRD2DRD3CHRNB2CHRNA4NOS3
SCHEMBL19079904 0.71 DRD2 (0.39) DRD2DRD3CHRNB2CHRNA4NOS3
SCHEMBL19504487 0.70 HRH3 (0.40) MAPTSMN1; SMN2
SCHEMBL22221914 0.69 MEN1 (0.36) MAPTSMN1; SMN2

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-10858347-B2 Multicyclic compounds and uses thereof Karyopharm Therapeutics Inc. (US) 2020-12-08 — — US disclosed
US-20190016710-A1 MULTICYCLIC COMPOUNDS AND USES THEREOF Karyopharm Therapeutics Inc. 2019-01-17 — — 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-20190016710-A1 MULTICYCLIC COMPOUNDS AND USES THEREOF MALT1, BCL9, BCL6 DRD2 2274/4885DRD3 2427/4885CHRNB2 4782/4885
US-10858347-B2 Multicyclic compounds and uses thereof MALT1, BCL9, BCL6 DRD2 2274/4885DRD3 2427/4885CHRNB2 4782/4885

“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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