SCHEMBL1645156

SCHEMBL1645156

O=Cc1ccc(N2CCC(Cc3ccccc3)CC2)cc1Br

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.51
SLC6A4 P31645 5/20 0.51
BRCA1 P38398 1/20 0.50
ATM Q13315 1/20 0.46
TSHR P16473 2/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GPR84 Q9NQS5 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
HDAC6 Q9UBN7 2/20 0.43
CCR3 P51677 1/20 0.43

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
SCHEMBL1647993 0.80 PIK3CD (0.48) ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL1647378 0.78 GRIN2D (0.57) LMNAMAPT
SCHEMBL1647376 0.78 GRIN2D (0.57) LMNAMAPT
SCHEMBL941899 0.77 SLC6A2 (0.79) SLC6A2SLC6A4BRCA1ATMTSHR
SCHEMBL1647156 0.76 DRD4 (0.50) ALDH1A1MAPT
SCHEMBL7241082 0.74 SLC6A2 (0.71) SLC6A2SLC6A4TSHRALDH1A1LMNA
SCHEMBL15474985 0.74 SLC6A2 (0.52) SLC6A2SLC6A4BRCA1ATMTSHR
SCHEMBL1646796 0.73 ALDH1A1 (0.58) ALDH1A1LMNAMAPTHTTSMN1; SMN2
SCHEMBL25134014 0.72 ALDH1A1 (0.47) ALDH1A1LMNAMAPT
SCHEMBL29927711 0.72 ALDH1A1 (0.47) ALDH1A1LMNAMAPT

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
US-8552220-B2 Therapeutic agent for Alzheimer's disease TOKYO INSTITUTE OF TECHNOLOGY (JP) 2013-10-08 US disclosed
US-20110082295-A1 NOVEL CURCUMIN DERIVATIVE TOKYO INSTITUTE OF TECHNOLOGY (JP) 2011-04-07 US disclosed
EP-2305629-A1 THERAPEUTIC AGENT FOR ALZHEIMER'S DISEASE Tokyo Institute of Technology (JP) 2011-04-06 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 (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-20110082295-A1 NOVEL CURCUMIN DERIVATIVE BACE1, APP, BACE2 SLC6A2 2409/4885SLC6A4 2469/4885BRCA1 826/4885

“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.