SCHEMBL23956137

SCHEMBL23956137

C=NN(C)CCn1ccc2cc(OCc3ccccc3)ccc21

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ HTR7 P34969 1/20 0.46
▸ SRD5A2 P31213 1/20 0.46
▸ BCL2 P10415 3/20 0.45
▸ MCL1 Q07820 3/20 0.45
▸ ROCK1 Q13464 1/20 0.44

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
SCHEMBL23956123 0.87 HTR2A (0.56) MEN1NPC1RAB9AKMT2AHTR7
SCHEMBL25631028 0.83 SCN9A (0.55) MEN1NPC1RAB9AKMT2AHTR7
Fumaric Acid SCHEMBL23927870 0.80 SRD5A2 (0.51) MEN1NPC1RAB9AKMT2ASRD5A2
SCHEMBL17602263 0.80 MEN1 (0.56) MEN1NPC1RAB9AKMT2AHTR7
SCHEMBL4191518 0.78 MEN1 (0.54) MEN1NPC1RAB9AKMT2AHTR7
SCHEMBL27639042 0.78 ALOX5 (0.55) MEN1NPC1RAB9AKMT2AHTR7
SCHEMBL23927885 0.78 HTR2A (0.66) MEN1NPC1RAB9AKMT2AHTR7
SCHEMBL25630553 0.78 MEN1 (0.54) MEN1NPC1RAB9AKMT2AHTR7
SCHEMBL3927600 0.77 MEN1 (0.53) MEN1NPC1RAB9AKMT2AHTR7
SCHEMBL6097633 0.77 MEN1 (0.53) MEN1NPC1RAB9AKMT2AHTR7

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 MEN1 995/4885NPC1 721/4885RAB9A 2645/4885
US-20210332012-A1 N-SUBSTITUTED INDOLES AND OTHER HETEROCYCLES FOR TREATING BRAIN DISORDERS TPH2, AANAT, HTR2C MEN1 995/4885NPC1 721/4885RAB9A 2645/4885

“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.

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