SCHEMBL6806512

SCHEMBL6806512

Oc1c(C2CCCCN2)ccc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALOX12 P18054 1/20 0.41
PTPN22 Q9Y2R2 1/20 0.41
NR1H4 Q96RI1 1/20 0.40
IKBKB O14920 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP2D6 P10635 3/20 0.39
MEN1 O00255 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA4 P43681 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP2A6 P11509 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL9634176 0.84 KDM1A (0.43) NR1H4IKBKBCYP2D6MEN1CYP1A2
SCHEMBL25973017 0.79 SCN9A (0.46) NR1H4CYP2D6MEN1KMT2ACHRNB2
SCHEMBL4149119 0.79 SCN9A (0.46) NR1H4CYP2D6MEN1KMT2ACHRNB2
SCHEMBL2097203 0.78 IDO1 (0.43) IKBKBCYP2D6MEN1CYP1A2CYP2C19
SCHEMBL11003369 0.77 PTPN22 (0.48) MAPTKDM4EALOX12PTPN22ALDH1A1
SCHEMBL28905130 0.77 NR1H4 (0.39) NR1H4CYP2D6MEN1KMT2ACHRNB2
SCHEMBL11002817 0.76 ALDH1A1 (0.48) MAPTKDM4EALOX12PTPN22ALDH1A1
Hydrochloric Acid SCHEMBL20914773 0.74 CYP1A2 (0.41) ALDH1A1CYP2D6MEN1CYP1A2CYP2C19
SCHEMBL10653671 0.74 IKBKB (0.48) IKBKBCYP2D6MEN1CYP1A2CYP2C19
SCHEMBL5767274 0.73 ACP3 (0.36) NR1H4IKBKBALDH1A1CYP2D6MEN1

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-20040072865-A1 Aryl piperidine derivatives as inducers of ldl-receptor expression SMITHKLINE BEECHAM CORPORATION 2004-04-15 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-20040072865-A1 Aryl piperidine derivatives as inducers of ldl-receptor expression NR1H2, NR1H3, NR1H4 MAPT 4646/4885KDM4E 2193/4885ALOX12 1659/4885

“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.