SCHEMBL1647993

SCHEMBL1647993

O=Cc1ccc(N2CCN(c3ccccc3)CC2)cc1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.48
PIK3CA P42336 1/20 0.48
PIK3CB P42338 1/20 0.48
PIK3CG P48736 1/20 0.48
PRKDC P78527 1/20 0.48
MAPT P10636 8/20 0.47
ALDH1A1 P00352 5/20 0.47
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 4/20 0.44
PKM P14618 1/20 0.44
POLB P06746 3/20 0.43
DHODH Q02127 1/20 0.41
METAP1 P53582 1/20 0.41
ALOX12 P18054 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
GFER P55789 1/20 0.40

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
SCHEMBL15474510 0.84 PIK3CD (0.68) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL15475184 0.84 ALDH1A1 (0.56) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL1646796 0.83 ALDH1A1 (0.58) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL31494973 0.81 CHRNB2 (0.49) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL1647156 0.80 DRD4 (0.50) MAPTALDH1A1
SCHEMBL1645156 0.80 SLC6A2 (0.51) MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL15474866 0.79 ALDH1A1 (0.50) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL23753987 0.74 IP6K1 (0.38) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL1443539 0.73 TRIM24 (0.70) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL20644395 0.73 PIK3CD (0.47) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC

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 4 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
CN-102046575-A Therapeutic agent for alzheimer's disease TOKYO INST TECH 2011-05-04 CN 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 PIK3CD 4514/4885PIK3CA 4813/4885PIK3CB 4327/4885

“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.