SCHEMBL31258411

SCHEMBL31258411

O=C([C@@H]1CCCNC1)N(Cc1ccc(C2=CCCCC2)c(Cl)c1)C1CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
REN P00797 7/20 0.51
SLC6A2 P23975 6/20 0.43
SLC6A4 P31645 6/20 0.43
BCL9 O00512 6/20 0.37
CTNNB1 P35222 6/20 0.37
KCNH2 Q12809 5/20 0.35
CYP3A4 P08684 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SLC6A3 Q01959 1/20 0.35
OPRM1 P35372 1/20 0.34

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
SCHEMBL24872977 0.81 REN (0.57) RENSLC6A2SLC6A4KCNH2CYP3A4
SCHEMBL31258379 0.76 REN (0.58) RENSLC6A2SLC6A4BCL9CTNNB1
SCHEMBL13625495 0.74 SLC6A2 (0.60) RENSLC6A2SLC6A4KCNH2CYP3A4
SCHEMBL13625563 0.70 SLC6A4 (0.51) RENSLC6A2SLC6A4KCNH2CYP3A4
SCHEMBL31258387 0.69 REN (0.53) RENBCL9CTNNB1
SCHEMBL24873100 0.69 REN (0.53) RENBCL9CTNNB1
SCHEMBL13625727 0.69 REN (0.68) RENKCNH2CYP3A4
SCHEMBL31258384 0.69 GPR88 (0.43) RENBCL9CTNNB1KCNH2OPRM1
SCHEMBL1911550 0.68 REN (1.00) RENKCNH2
SCHEMBL13625719 0.67 REN (0.60) RENKCNH2CYP3A4

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-20240391896-A1 SMALL MOLECULE COMPOUND TARGETING BCL9/BETA-CATENIN INTERACTION Nantong Jutai Biotech Co., Ltd. (CN) 2024-11-28 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 (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-20240391896-A1 SMALL MOLECULE COMPOUND TARGETING BCL9/BETA-CATENIN INTERACTION BCL9, BCL9L, BCL2L11 REN 1371/4885SLC6A2 3905/4885SLC6A4 3725/4885

“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.