SCHEMBL4254928

SCHEMBL4254928

COc1cc2c(cc1OC)CN(CCC(N)=O)CC2

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.65
ALDH1A1 P00352 2/20 0.65
KMT2A Q03164 2/20 0.65
KDM4E B2RXH2 2/20 0.65
LMNA P02545 1/20 0.65
HTT P42858 1/20 0.65
GFER P55789 1/20 0.65
MEN1 O00255 1/20 0.65
ABCB1 P08183 3/20 0.60
GAA P10253 1/20 0.58
RAB9A P51151 1/20 0.58
DHCR7 Q9UBM7 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
DRD2 P14416 1/20 0.55
DRD3 P35462 1/20 0.55
SIGMAR1 Q99720 1/20 0.55
ABCG2 Q9UNQ0 1/20 0.55

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
Hydrochloric Acid SCHEMBL4249730 0.99 MAPT (0.67) MAPTALDH1A1KMT2AKDM4ELMNA
SCHEMBL4223235 0.93 ABCB1 (0.67) MAPTALDH1A1KMT2AKDM4ELMNA
SCHEMBL4223307 0.92 ABCB1 (0.69) MAPTALDH1A1KMT2AKDM4ELMNA
Hydrochloric Acid SCHEMBL4220525 0.92 ABCB1 (0.65) MAPTALDH1A1KMT2AKDM4ELMNA
Hydrochloric Acid SCHEMBL4220020 0.92 ABCB1 (0.65) MAPTALDH1A1KMT2AKDM4ELMNA
Hydrochloric Acid SCHEMBL4223003 0.91 ABCB1 (0.67) MAPTALDH1A1KMT2AKDM4ELMNA
SCHEMBL2799283 0.87 MAPT (0.66) MAPTALDH1A1KMT2AKDM4ELMNA
SCHEMBL5456103 0.86 L3MBTL1 (0.66) MAPTALDH1A1KMT2AKDM4ELMNA
SCHEMBL31109170 0.81 ABCB1 (0.67) ABCB1DHCR7ABCG2
SCHEMBL5456104 0.81 ABCB1 (0.68) MAPTALDH1A1KMT2AKDM4ELMNA

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-20090088450-A1 5-ht7 receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-04-02 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-20090088450-A1 5-ht7 receptor antagonists HTR7, HTR1A, HTR5A MAPT 1567/4885ALDH1A1 3390/4885KMT2A 2533/4885

“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.