SCHEMBL31465327

SCHEMBL31465327

Brc1cccc2c3c([nH]c12)CCN(Cc1ccccc1)C3

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.67
AKR1B1 P15121 1/20 0.52
HDAC1 Q13547 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
ATM Q13315 1/20 0.46
SLC6A5 Q9Y345 1/20 0.46
SIGMAR1 Q99720 2/20 0.46
GABRA1 P14867 1/20 0.45
GABRA2 P47869 1/20 0.45

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
SCHEMBL10127692 0.93 ACHE (0.57) ACHEAKR1B1HDAC1HDAC6MEN1
SCHEMBL12868556 0.86 ACHE (0.68) ACHEAKR1B1HDAC1HDAC6MEN1
SCHEMBL633048 0.80 ACHE (1.00) ACHEAKR1B1HDAC1HDAC6MEN1
SCHEMBL8157824 0.79 NISCH (0.51) ACHEHDAC1HDAC6SIGMAR1
SCHEMBL8359258 0.78 ACHE (0.71) ACHEAKR1B1HDAC1HDAC6SLC6A5
SCHEMBL11186197 0.77 ACHE (0.74) ACHEAKR1B1HDAC1HDAC6MEN1
SCHEMBL1988205 0.76 CHRNA7 (0.60) GAA
SCHEMBL21996391 0.75 HDAC1 (0.49) HDAC1HDAC6MEN1KMT2AGAA
SCHEMBL6475336 0.75 ACHE (0.53) ACHEAKR1B1MEN1KMT2AGAA
SCHEMBL8107160 0.75 ACHE (0.67) ACHEAKR1B1HDAC1HDAC6MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250101029-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. 2025-03-27 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 (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-20250101029-A1 ORGANIC COMPOUNDS HTR2C, HTR2A, HTR1A ACHE 2035/4885AKR1B1 2457/4885HDAC1 1116/4885

“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.