SCHEMBL230231

SCHEMBL230231

O=Cc1ccc(NCC2(c3ccc(Cl)cc3)CC2)cn1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.42
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
SLC6A2 P23975 1/20 0.40
CTSD P07339 1/20 0.37
BACE1 P56817 1/20 0.37
P2RX7 Q99572 11/20 0.36
EP300 Q09472 1/20 0.34
F2 P00734 1/20 0.34
FGFR4 P22455 1/20 0.34
MCHR1 Q99705 1/20 0.32

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
SCHEMBL231542 0.75 MAPT (0.47)
SCHEMBL2458142 0.73 HDAC3 (0.41) SLC6A2
SCHEMBL234584 0.67 ATM (0.39) CNR1BACE1P2RX7
SCHEMBL733566 0.66
SCHEMBL11393319 0.66 HDAC3 (0.48)
SCHEMBL24330498 0.65 RRM2 (0.42)
SCHEMBL230230 0.64 KDM4E (0.38)
SCHEMBL3406637 0.64 SLC6A4 (0.47) CNR1SLC6A4SLC6A3SLC6A2P2RX7
SCHEMBL4005376 0.64 LTA4H (0.43)
SCHEMBL11393082 0.62 P4HTM (0.58)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2406220-A1 BIS AROMATIC COMPOUNDS FOR USE AS LTC4 SYNTHASE INHIBITORS Biolipox AB (SE) 2012-01-18 EP disclosed
US-20120004228-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors BIOLIPOX AB (SW) 2012-01-05 US disclosed
WO-2010103279-A1 BIS AROMATIC COMPOUNDS FOR USE AS LCT4 SYNTHASE INHIBITORS BIOLIPOX AB (SE) 2010-09-16 WO 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-20120004228-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors LTC4S, LTB4R2, LTB4R CNR1 509/4885SLC6A4 2522/4885SLC6A3 2118/4885

“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.