SCHEMBL20334791

SCHEMBL20334791

BNC1CCC(C(C)C)CC1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.32
ROCK2 O75116 1/20 0.30
ROCK1 Q13464 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
SCHEMBL17191618 0.81 GRM4 (0.33) GRM4ROCK2ROCK1
SCHEMBL10261759 0.81 GRM4 (0.33) GRM4ROCK2ROCK1
SCHEMBL462660 0.81 GRM4 (0.33) GRM4ROCK2ROCK1
SCHEMBL19993506 0.78 ALDH1A1 (0.38) GRM4ROCK2ROCK1
SCHEMBL12809446 0.76
SCHEMBL22462729 0.76 NOS3 (0.33) ROCK2ROCK1
SCHEMBL8677451 0.76 NOS3 (0.33) ROCK2ROCK1
SCHEMBL5422 0.76
SCHEMBL25007747 0.75 GRM4 (0.30) GRM4
SCHEMBL21983611 0.74 GRM4 (0.32) GRM4ROCK2ROCK1

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-20210284628-A1 IRE1 SMALL MOLECULE INHIBITORS CORNELL UNIVERSITY 2021-09-16 US disclosed
US-20180179210-A1 Inhibitors of the TEC Kinase Enzyme Family PHARMASCIENCE INC. (CA) 2018-06-28 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-20210284628-A1 IRE1 SMALL MOLECULE INHIBITORS XBP1, ERN2, ERN1 GRM4 4586/4885ROCK2 2543/4885ROCK1 2973/4885
US-20180179210-A1 Inhibitors of the TEC Kinase Enzyme Family TEC, BTK, LCK GRM4 4714/4885ROCK2 429/4885ROCK1 253/4885

“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.