SCHEMBL3028058

SCHEMBL3028058

CCc1ncc(N2CCN(c3ccc(OC)cc3)CC2)nc1Cl

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.60
RAB9A P51151 5/20 0.60
SMN1; SMN2 Q16637 5/20 0.60
NPC1 O15118 4/20 0.60
ALDH1A1 P00352 3/20 0.60
KMT2A Q03164 4/20 0.48
DRD2 P14416 1/20 0.48
L3MBTL1 Q9Y468 4/20 0.47
DHFR P00374 1/20 0.47
TP53 P04637 2/20 0.46
MEN1 O00255 3/20 0.46
MAPK1 P28482 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 2/20 0.45
DCTPP1 Q9H773 1/20 0.45
KDM4E B2RXH2 3/20 0.44
LMNA P02545 1/20 0.44
RECQL P46063 1/20 0.44

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
SCHEMBL3023133 0.76 MAPT (0.58) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL29656856 0.72 HTR3E (0.73) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL28599511 0.72 HTR3E (0.73) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL3017262 0.71 PSEN1 (0.49) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL12265056 0.71 DRD2 (0.65) MAPTRAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL28432321 0.70 MAPT (0.64) MAPTRAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL9311925 0.70 ALDH1A1 (0.58) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL2493902 0.69 KMT2A (0.57) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL11066512 0.68 MAPT (0.69) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL8353109 0.68 DRD2 (0.75) MAPTRAB9ASMN1; SMN2ALDH1A1KMT2A

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-20100204230-A1 PIPERAZINE DERIVATIVES FOR TREATMENT OF AD AND RELATED CONDITIONS MERCK SHARP & DOHME CORP. 2010-08-12 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-20100204230-A1 PIPERAZINE DERIVATIVES FOR TREATMENT OF AD AND RELATED CONDITIONS PSEN1, PSEN2, APP MAPT 8/4885RAB9A 2806/4885SMN1; SMN2 1587/4885

“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.