SCHEMBL21707918

SCHEMBL21707918

O=C(O)N1CC[C@@H]2Nc3c(Br)cccc3[C@@H]2C1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 4/20 0.39
PSD A5PKW4 1/20 0.36
L3MBTL3 Q96JM7 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 2/20 0.35
CCR5 P51681 1/20 0.35
MGLL Q99685 1/20 0.32
LMNA P02545 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MBTD1 Q05BQ5 1/20 0.31
HRH4 Q9H3N8 1/20 0.30
RBP4 P02753 1/20 0.30
MAPK1 P28482 1/20 0.30
UBE2M P61081 1/20 0.30
DCUN1D1 Q96GG9 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 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
SCHEMBL3313723 1.00 BACE1 (0.39) BACE1PSDL3MBTL3L3MBTL1POLB
SCHEMBL28982266 1.00 BACE1 (0.39) BACE1PSDL3MBTL3L3MBTL1POLB
SCHEMBL8163166 0.83 BRD4 (0.43) L3MBTL1POLBLMNAALDH1A1
SCHEMBL21037265 0.83 BRD4 (0.43) L3MBTL1POLBLMNAALDH1A1
SCHEMBL29963891 0.83 BRD4 (0.43) L3MBTL1POLBLMNAALDH1A1
SCHEMBL21379804 0.83 BRD4 (0.43) L3MBTL1POLBLMNAALDH1A1
SCHEMBL22054365 0.83 BRD4 (0.43) L3MBTL1POLBLMNAALDH1A1
SCHEMBL28982269 0.83 BRD4 (0.43) L3MBTL1POLBLMNAALDH1A1
SCHEMBL30641160 0.83 BRD4 (0.43) L3MBTL1POLBLMNAALDH1A1
SCHEMBL22118294 0.79 L3MBTL3 (0.34) L3MBTL3L3MBTL1MGLLRBP4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024145659-A1 HETEROCYCLE FUSED GAMMA-CARBOLINES ACTING ON THE SEROTONINE 5-HT2A RECEPTOR INTRA-CELLULAR THERAPIES, INC. (US) 2024-07-04 WO disclosed
US-20230009130-A1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES SYNTHESIS INTRA-CELLULAR THERAPIES, INC. 2023-01-12 US disclosed
CN-113024554-A Preparation method of rumepilone intermediate 上海法默生物科技有限公司 2021-06-25 CN disclosed
US-20200102309-A1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES SYNTHESIS INTRA-CELLULAR THERAPIES, INC. 2020-04-02 US disclosed
EP-3609891-A1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES SYNTHESIS Intra-Cellular Therapies, Inc. (US) 2020-02-19 EP 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-20200102309-A1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES SYNTHESIS HCCS, CYCS, CBR3 BACE1 947/4885PSD 2233/4885L3MBTL3 3429/4885
US-20230009130-A1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES SYNTHESIS HCCS, CYCS, CBR3 BACE1 947/4885PSD 2233/4885L3MBTL3 3429/4885

“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.