SCHEMBL31258100

SCHEMBL31258100

CN(C)CCn1ccc2ccc(Br)cc21

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.64
HTR2C P28335 3/20 0.64
HTR1D P28221 9/20 0.61
HTR7 P34969 5/20 0.53
EGFR P00533 1/20 0.52
HTR6 P50406 1/20 0.48
NOS3 P29474 1/20 0.47
NOS1 P29475 1/20 0.47

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
SCHEMBL7252922 1.00 HTR2A (0.64) HTR2AHTR2CHTR1DHTR7EGFR
SCHEMBL7253554 0.91 HTR2A (0.54) HTR2AHTR2CHTR1DHTR7EGFR
SCHEMBL20540198 0.87 HTR2C (0.61) HTR2AHTR2CHTR1DHTR7EGFR
SCHEMBL7256513 0.84 HTR7 (0.51) HTR2AHTR2CHTR1DHTR7HTR6
SCHEMBL18239699 0.81 HTR7 (0.57) HTR2AHTR2CHTR1DHTR7HTR6
SCHEMBL23956080 0.81 HTR2C (0.69) HTR2AHTR2CHTR1DHTR7HTR6
SCHEMBL1122347 0.81 HTR2C (0.64) HTR2AHTR2CHTR1DHTR6NOS3
SCHEMBL20614497 0.78 HTR1D (0.62) HTR2AHTR2CHTR1DHTR7HTR6
SCHEMBL16741930 0.78 EGFR (0.53) HTR2AHTR2CHTR7EGFRNOS3
SCHEMBL23927832 0.78 HTR2A (1.00) HTR2AHTR2CHTR1DHTR7HTR6

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
EP-4698529-A1 BLOOD BRAIN BARRIER PENETRATING SELECTIVE INHIBITORS OF ROCK2 PROTEIN KINASES AND USES THEREOF Genosco Inc. (US) 2026-02-25 EP disclosed
US-20240360139-A1 BLOOD BRAIN BARRIER PENETRATING SELECTIVE INHIBITORS OF ROCK2 PROTEIN KINASES AND USES THEREOF Genosco Inc. 2024-10-31 US disclosed
WO-2024220173-A1 BLOOD BRAIN BARRIER PENETRATING SELECTIVE INHIBITORS OF ROCK2 PROTEIN KINASES AND USES THEREOF Genosco Inc. (US) 2024-10-24 WO 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 (1 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-20240360139-A1 BLOOD BRAIN BARRIER PENETRATING SELECTIVE INHIBITORS OF ROCK2 PROTEIN KINASES AND USES THEREOF ROCK2, ROCK1, MYLK3 HTR2A 1461/4885HTR2C 1544/4885HTR1D 4057/4885

“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.