SCHEMBL23927913

SCHEMBL23927913

CN(C)C(Cn1ccc2c(OCc3ccccc3)cccc21)OC(=O)/C=C/C(=O)OC(Cn1ccc2c(OCc3ccccc3)cccc21)N(C)C

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 11/20 0.42
LTB4R2 Q9NPC1 11/20 0.42
BCL2 P10415 2/20 0.41
MCL1 Q07820 2/20 0.41
ROCK1 Q13464 1/20 0.41
HTR6 P50406 4/20 0.39
HTR2C P28335 1/20 0.38
SRD5A2 P31213 1/20 0.36

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
SCHEMBL23927842 0.85 HTR2C (0.54) HTR6HTR2C
SCHEMBL23927883 0.80 HTR2C (0.51) HTR2C
SCHEMBL23927871 0.79 PPARD (0.48) LTB4RLTB4R2BCL2MCL1SRD5A2
SCHEMBL27605562 0.79 APAF1 (0.47) LTB4RLTB4R2BCL2MCL1ROCK1
SCHEMBL23927824 0.77 KMT2A (0.44) MCL1HTR2C
Fumaric Acid SCHEMBL29435347 0.76 HTR2C (0.50) LTB4RLTB4R2BCL2MCL1HTR6
Fumaric Acid SCHEMBL23927910 0.76 HTR2C (0.50) LTB4RLTB4R2BCL2MCL1HTR6
SCHEMBL4323501 0.75 HTR6 (0.52) BCL2MCL1ROCK1HTR6HTR2C
SCHEMBL20337878 0.74 ALDH1A1 (0.49) LTB4RLTB4R2BCL2MCL1ROCK1
SCHEMBL4328875 0.73 HTR6 (0.52) BCL2MCL1ROCK1HTR6SRD5A2

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-11254640-B2 N-substituted indoles and other heterocycles for treating brain disorders THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-02-22 US disclosed
US-20210332012-A1 N-SUBSTITUTED INDOLES AND OTHER HETEROCYCLES FOR TREATING BRAIN DISORDERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA CORPORATION 2021-10-28 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-11254640-B2 N-substituted indoles and other heterocycles for treating brain disorders TPH2, AANAT, HTR2C LTB4R 1932/4885LTB4R2 1648/4885BCL2 1487/4885
US-20210332012-A1 N-SUBSTITUTED INDOLES AND OTHER HETEROCYCLES FOR TREATING BRAIN DISORDERS TPH2, AANAT, HTR2C LTB4R 1932/4885LTB4R2 1648/4885BCL2 1487/4885

“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.