SCHEMBL21145002

SCHEMBL21145002

CCN1CCCC12CCCN(C(C)C)C2

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.32
ROCK1 Q13464 3/20 0.32
CDC42BPB Q9Y5S2 3/20 0.32
CDC42BPA Q5VT25 2/20 0.32

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
SCHEMBL15292627 0.95 ROCK2 (0.31) ROCK2ROCK1CDC42BPBCDC42BPA
SCHEMBL18806150 0.89 ROCK2 (0.33) ROCK2ROCK1CDC42BPBCDC42BPA
SCHEMBL25089499 0.89
SCHEMBL18806174 0.85 ROCK2 (0.32) ROCK2ROCK1CDC42BPBCDC42BPA
SCHEMBL22308379 0.85
SCHEMBL18806139 0.76
SCHEMBL18806135 0.76
SCHEMBL19120916 0.75
SCHEMBL19121494 0.75 ROCK2 (0.34) ROCK2ROCK1CDC42BPBCDC42BPA
SCHEMBL19121218 0.75 ROCK2 (0.32) ROCK2ROCK1CDC42BPBCDC42BPA

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-20220160705-A1 METHODS FOR CONTROLLING PROSTAGLANDIN-MEDIATED BIOLOGICAL PROCESSES CORNELL UNIVERSITY 2022-05-26 US disclosed
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SUNOVION PHARMACEUTICALS INC. (US) 2021-11-30 US disclosed
US-20190194163-A1 DUAL NAV1.2/5HT2a INHIBITORS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2019-06-27 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 (3 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-20190194163-A1 DUAL NAV1.2/5HT2a INHIBITORS FOR TREATING CNS DISORDERS SCN2A, HTR2A, HTR2C ROCK2 704/4885ROCK1 2401/4885CDC42BPB 4160/4885
US-20220160705-A1 METHODS FOR CONTROLLING PROSTAGLANDIN-MEDIATED BIOLOGICAL PROCESSES PTGES, PTGS1, PTGES2 ROCK2 1134/4885ROCK1 1365/4885CDC42BPB 2704/4885
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SCN2A, HTR2A, HTR2C ROCK2 704/4885ROCK1 2401/4885CDC42BPB 4160/4885

“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.