SCHEMBL4517559

SCHEMBL4517559

COC(=O)c1ccc2c(c1)CCN(Cc1ccc(C(F)(F)F)cc1)C2

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 4/20 0.66
▸ POLB P06746 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ TNF P01375 3/20 0.52
▸ NOD2 Q9HC29 3/20 0.52
▸ NOD1 Q9Y239 3/20 0.52
▸ LMNA P02545 3/20 0.51
▸ HDAC1 Q13547 1/20 0.51
▸ HDAC6 Q9UBN7 1/20 0.51
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ ACHE P22303 1/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL1263457 0.86 HDAC6 (0.62) ACACBPOLBTNFNOD2NOD1
SCHEMBL9950571 0.85 ACACB (0.69) ACACBPOLBHPGDTNFNOD2
SCHEMBL3968486 0.85 ACACB (0.69) ACACBPOLBHPGDTNFNOD2
Potassium Ion SCHEMBL4527368 0.84 ACACB (0.57) ACACBPOLBHPGDTNFNOD2
SCHEMBL1036356 0.83 ACACB (0.63) ACACBPOLBHPGDTNFNOD2
SCHEMBL3881820 0.82 ACACB (0.55) ACACBLMNAHDAC6MEN1KMT2A
SCHEMBL20672151 0.81 TNF (0.64) ACACBPOLBHPGDTNFNOD2
SCHEMBL4524637 0.80 ACACB (0.59) ACACBPOLBHPGDSMN1; SMN2HTT
SCHEMBL1264734 0.80 HDAC6 (0.69) ACACBHDAC1HDAC6
SCHEMBL17585155 0.79 ACACB (1.00) ACACB

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-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 ACACB 3914/4885POLB 4596/4885HPGD 786/4885

“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.

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