SCHEMBL2408397

SCHEMBL2408397

Cc1ccc(B(OCCC2CNCCN2CCOB(c2ccc(C)c(Cl)c2)c2ccc(C)c(Cl)c2)c2ccc(C)c(Cl)c2)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.35
▸ SLC6A2 P23975 4/20 0.34
▸ SLC6A4 P31645 4/20 0.34
▸ SLC6A3 Q01959 3/20 0.34
▸ CYP2D6 P10635 2/20 0.34
▸ HTR2C P28335 2/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ HTR2B P41595 1/20 0.32
▸ MITF O75030 1/20 0.31
▸ L3MBTL1 Q9Y468 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
SCHEMBL2404213 0.79 SIGMAR1 (0.42) CYP2D6
SCHEMBL2408399 0.74 NPC1 (0.41) CYP2D6HTR2A
SCHEMBL2406071 0.71 SMN1; SMN2 (0.45) HTR2C
SCHEMBL12270487 0.70 SSTR2 (0.43) —
SCHEMBL12319348 0.70 SMN1; SMN2 (0.38) HTR2A
SCHEMBL12319130 0.67 SSTR2 (0.43) —
SCHEMBL13476066 0.67 HPGD (0.49) TAAR1
SCHEMBL2408889 0.66 HPGD (0.51) —
SCHEMBL12270645 0.65 CHRNB2 (0.43) —
SCHEMBL12270761 0.65 LYPLA1 (0.48) —

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-8853424-B2 Protein cross-linking inhibitor JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2014-10-07 — — US disclosed
US-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-09-01 — — 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-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR BAZ2B, PRMT1, BRIX1 TAAR1 3667/4885SLC6A2 4633/4885SLC6A4 4662/4885

“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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