SCHEMBL22330381

SCHEMBL22330381

CC(C)(C)c1cc2nc(CC(C)(C)c3cnn4ccccc34)ccn2n1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.34
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
DYRK1A Q13627 1/20 0.31
EGFR P00533 1/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 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
SCHEMBL19171675 0.79 JAK2 (0.33)
SCHEMBL21706400 0.79 SSTR4 (0.35) SSTR4DRD4DRD3LMNAHTT
SCHEMBL21706601 0.76 SSTR4 (0.34) SSTR4DRD4DRD3LMNAHTT
SCHEMBL21451299 0.71 SSTR4 (0.44) SSTR4DRD4DRD3DYRK1AHTT
SCHEMBL9607549 0.70 SSTR4 (0.48) SSTR4DRD4DRD3DYRK1ALMNA
SCHEMBL20043180 0.69 KDM4E (0.46) HTT
SCHEMBL23638563 0.68 SSTR4 (0.34) SSTR4DRD4DRD3
SCHEMBL26525736 0.65 EGFR (0.31) EGFR
SCHEMBL16256035 0.65 SSTR4 (0.46) SSTR4DRD4DRD3DYRK1ALMNA
SCHEMBL17849508 0.65 SSTR4 (0.46) SSTR4DRD4DRD3DYRK1A

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-11142526-B2 Spirocycle compounds and methods of making and using same H. LUNDBECK A/S (DK) 2021-10-12 US disclosed
US-20200255427-A1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2020-08-13 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-20200255427-A1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME OPRL1, MGLL, OPRK1 SSTR4 4198/4885DRD4 3561/4885DRD3 2758/4885
US-11142526-B2 Spirocycle compounds and methods of making and using same OPRL1, MGLL, OPRK1 SSTR4 4198/4885DRD4 3561/4885DRD3 2758/4885

“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.