SCHEMBL4516751

SCHEMBL4516751

O=C(c1ccc2c(c1)CCN(C(=O)C1CCCCC1)C2)N1CC2CCN(C3=CC=C3)C2C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 6/20 0.56
KEAP1 Q14145 1/20 0.47
ALDH1A1 P00352 3/20 0.46
ENPP2 Q13822 1/20 0.41
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 0.39
LMNA P02545 2/20 0.38
ABCB11 O95342 1/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
OPRK1 P41145 1/20 0.38
BLM P54132 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
KDM2B Q8NHM5 1/20 0.38
KMT2A Q03164 1/20 0.38
CCNK O75909 1/20 0.37

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
SCHEMBL4507995 0.88 HDAC6 (0.59) HDAC6KEAP1ALDH1A1ENPP2CYP1A2
SCHEMBL4516749 0.83 HDAC6 (0.58) HDAC6KEAP1ALDH1A1ENPP2CYP1A2
SCHEMBL4431710 0.83 HDAC6 (0.64) HDAC6KEAP1ALDH1A1ENPP2CYP1A2
SCHEMBL4521483 0.80 HDAC6 (0.61) HDAC6KEAP1ALDH1A1ENPP2CYP1A2
SCHEMBL4529707 0.79 HDAC6 (0.52) HDAC6KEAP1ALDH1A1ENPP2CYP1A2
SCHEMBL4507993 0.79 HDAC6 (0.62) HDAC6KEAP1ALDH1A1ENPP2CYP1A2
SCHEMBL4431726 0.77 HDAC6 (0.77) HDAC6KEAP1ALDH1A1ENPP2CYP1A2
SCHEMBL4436390 0.76 HDAC6 (0.58) HDAC6KEAP1ALDH1A1ENPP2CYP1A2
SCHEMBL4514344 0.74 HDAC6 (0.67) HDAC6KEAP1ALDH1A1KMT2APOLB
SCHEMBL4529449 0.74 HDAC6 (0.67) HDAC6KEAP1ALDH1A1KMT2APOLB

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-20090099158-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-16 US claimed
US-20090099158-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-16 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-20090099158-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR HRH3, HRH4, HRH1 HDAC6 848/4885KEAP1 909/4885ALDH1A1 3918/4885

“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.