SCHEMBL3018820

SCHEMBL3018820

CCN(CC)c1ccc(Nc2nc(N3CCN(c4ccc(OC)cc4)C(C)(C)C3)nc3ccccc23)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPT P10636 4/20 0.48
LMNA P02545 2/20 0.48
KMT2A Q03164 2/20 0.48
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.48
HSD17B10 Q99714 1/20 0.48
KDM4E B2RXH2 2/20 0.47
GAA P10253 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HTR2A P28223 7/20 0.47
PSEN1 P49768 4/20 0.47
PSEN2 P49810 4/20 0.47
APH1B Q8WW43 4/20 0.47
NCSTN Q92542 4/20 0.47
APH1A Q96BI3 4/20 0.47
PSENEN Q9NZ42 4/20 0.47

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
SCHEMBL3022690 0.86 PSEN1 (0.47) SMN1; SMN2MAPTLMNAHTTHSD17B10
SCHEMBL3033420 0.84 PSEN1 (0.46) MAPTLMNAPSEN1PSEN2APH1B
SCHEMBL3023898 0.84 PSEN1 (0.46) POLBSMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL3029902 0.84 PSEN1 (0.46) MAPTLMNAHTTTDP1PSEN1
SCHEMBL3028003 0.84 PSEN1 (0.46) SMN1; SMN2MAPTLMNAKMT2AHTT
SCHEMBL3017785 0.83 PSEN1 (0.55) POLBSMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL3017245 0.81 PSEN1 (0.45) SMN1; SMN2MAPTLMNAKMT2AHTT
SCHEMBL3032792 0.81 PSEN1 (0.52) POLBSMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL3028294 0.81 MAPT (0.51) SMN1; SMN2MAPTLMNAKMT2ATSHR
SCHEMBL3011601 0.79 PSEN1 (0.52) POLBSMN1; SMN2ALDH1A1MAPTLMNA

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-20100204230-A1 PIPERAZINE DERIVATIVES FOR TREATMENT OF AD AND RELATED CONDITIONS MERCK SHARP & DOHME CORP. 2010-08-12 US disclosed
US-20100204230-A1 PIPERAZINE DERIVATIVES FOR TREATMENT OF AD AND RELATED CONDITIONS MERCK SHARP & DOHME CORP. 2010-08-12 US disclosed
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 POLB 1443/4885SMN1; SMN2 1587/4885ALDH1A1 384/4885

“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.