SCHEMBL6292851

SCHEMBL6292851

COc1cccc(OC)c1CCC(O)c1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.39
SYK P43405 2/20 0.39
NPC1 O15118 2/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
AGTR1 P30556 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
TP53 P04637 1/20 0.37
PKM P14618 1/20 0.37
PLAU P00749 1/20 0.37
CYP2C19 P33261 1/20 0.36
KAT7 O95251 1/20 0.36
KAT6A Q92794 1/20 0.36

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
SCHEMBL6295644 0.86 TAAR1 (0.45) KDM4E
SCHEMBL6292665 0.84 KDM4E (0.50) RAB9AKDM4EMAPTL3MBTL1
SCHEMBL6292650 0.79 KDM4E (0.37) KDM4EMAPTCYP1A2CYP2C19
SCHEMBL6291795 0.78 ALDH1A1 (0.46) RAB9ASYKNPC1KDM4EMAPT
SCHEMBL6295639 0.78 ADRA1A (0.47) RAB9ASYKMAPT
SCHEMBL2230732 0.73 KCNA5 (0.51) KDM4EGAALMNACYP1A2TP53
SCHEMBL30596267 0.73 KCNA5 (0.51) KDM4EGAALMNACYP1A2TP53
SCHEMBL8018549 0.72 CHRM2 (0.42) RAB9ASYKNPC1KDM4EGAA
SCHEMBL1856673 0.72 SLC6A2 (0.45) KDM4EMAPTL3MBTL1CYP1A2CYP2C19
SCHEMBL11398150 0.72 ACHE (0.51) RAB9ANPC1KDM4EGAAMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6846817-B2 Nicotine receptor ligands REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2005-01-25 US disclosed
US-20030027810-A1 Nicotine receptor ligands REGENTS OF THE UNIVERSITY OF MINNESOTA 2003-02-06 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-20030027810-A1 Nicotine receptor ligands CHRNA1, CHRNB1, CHRNA9 RAB9A 1075/4885SYK 1718/4885NPC1 1319/4885

“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.