SCHEMBL23788933

SCHEMBL23788933

CC(C)CCc1ccn(C(C)C)n1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
DYRK1A Q13627 1/20 0.36
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
ESR1 P03372 6/20 0.33
ESR2 Q92731 1/20 0.33
HRH4 Q9H3N8 2/20 0.33
TLR7 Q9NYK1 1/20 0.32
ABCB1 P08183 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
CACNA2D1 P54289 1/20 0.31
DDX3X O00571 1/20 0.30

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
SCHEMBL18966935 0.82 CYP19A1 (0.38) DYRK1AHDAC1HDAC6ABCB1ABCG2
SCHEMBL24792887 0.80 EPHX2 (0.42) NOS3NOS1NOS2ESR1ESR2
SCHEMBL1198225 0.80 DYRK1A (0.36) DYRK1AHDAC1HDAC6ABCB1ABCG2
SCHEMBL13171693 0.79 DYRK1A (0.38) NOS3NOS1NOS2DYRK1AHDAC1
SCHEMBL16805453 0.77 NOS3 (0.35) NOS3NOS1NOS2HDAC1ESR1
SCHEMBL23542447 0.77 KCNH2 (0.36) NOS3NOS1NOS2HDAC1ESR1
SCHEMBL1064984 0.77 DYRK1A (0.39) DYRK1AHDAC1HDAC6ABCB1ABCG2
SCHEMBL9974274 0.77 DYRK1A (0.39) DYRK1AHDAC1HDAC6ABCB1ABCG2
SCHEMBL23847781 0.77 MEN1 (0.34) DYRK1AHDAC1HDAC6
SCHEMBL20762092 0.75 DYRK1A (0.38) DYRK1AHDAC1HDAC6ABCB1ABCG2

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-11827621-B2 Inhibitors of (α-v)(β-6) integrin MORPHIC THERAPEUTIC, INC. (US) 2023-11-28 US disclosed
US-11827621-B2 Inhibitors of (α-v)(β-6) integrin MORPHIC THERAPEUTIC, INC. (US) 2023-11-28 US disclosed
US-20210276975-A1 INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN MORPHIC THERAPEUTIC, INC. 2021-09-09 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-20210276975-A1 INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN ITGB6, ITGA6, ITGAV NOS3 4664/4885NOS1 4611/4885NOS2 4722/4885
US-11827621-B2 Inhibitors of (α-v)(β-6) integrin ITGB6, ITGA6, ITGAV NOS3 4629/4885NOS1 4551/4885NOS2 4692/4885

“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.