SCHEMBL6807682

SCHEMBL6807682

CN(C)c1cccc(C2(CNCc3ccc(O)cc3)CCCCC2)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 11/20 0.41
SLC6A3 Q01959 9/20 0.41
SLC6A2 P23975 7/20 0.41
KDM4E B2RXH2 2/20 0.41
SOAT2 O75908 1/20 0.38
ACAT1 P24752 1/20 0.38
SOAT1 P35610 1/20 0.38
BACE1 P56817 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SLC22A1 O15245 1/20 0.36
CHRM2 P08172 1/20 0.36
ACHE P22303 1/20 0.36
OPRM1 P35372 1/20 0.36
CYP2D6 P10635 1/20 0.36
NOS1 P29475 1/20 0.35

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
SCHEMBL6223385 0.73 SLC6A3 (0.60) SLC6A4SLC6A3SLC6A2
SCHEMBL6808948 0.72 ALDH1A1 (0.43) SLC6A4SLC6A3SLC6A2KDM4EALDH1A1
SCHEMBL6802801 0.72 KCNA3 (0.43) SLC6A4SLC6A3SLC6A2ALDH1A1TSHR
SCHEMBL6803510 0.71 ALDH1A1 (0.37) SLC6A4ALDH1A1
SCHEMBL6803816 0.70 SOAT1 (0.49) KDM4ESOAT2ACAT1SOAT1BACE1
SCHEMBL6802473 0.68 OPRM1 (0.47) KDM4EALDH1A1OPRM1
SCHEMBL5736003 0.68 KDM4E (0.45) SLC6A4SLC6A3SLC6A2KDM4EBACE1
SCHEMBL6202623 0.68 ADRB2 (0.38) SLC6A4SLC6A3SLC6A2ALDH1A1TSHR
SCHEMBL6804377 0.66 LTA4H (0.33) ALDH1A1
Hydrochloric Acid SCHEMBL29234167 0.66 APP (0.50) KDM4EALDH1A1TSHRNPC1RAB9A

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-20040063643-A1 Bombesin antagonists PFIZER INC. 2004-04-01 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-20040063643-A1 Bombesin antagonists BRS3, NPSR1, GNRHR SLC6A4 419/4885SLC6A3 465/4885SLC6A2 256/4885

“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.