SCHEMBL14597201

SCHEMBL14597201

O=C(c1ccccc1)N1CCC(Oc2ccccc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.61
▸ HTT P42858 2/20 0.61
▸ ALDH1A1 P00352 2/20 0.61
▸ LMNA P02545 1/20 0.59
▸ SCD5 Q86SK9 1/20 0.59
▸ EPHX1 P07099 1/20 0.56
▸ L3MBTL3 Q96JM7 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ EPHX2 P34913 1/20 0.56
▸ SRD5A1 P18405 1/20 0.56
▸ KMT2A Q03164 3/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ HPGD P15428 1/20 0.54
▸ CHRM2 P08172 1/20 0.53

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
SCHEMBL12442639 0.91 NAMPT (0.57) ACHEHTTALDH1A1LMNASCD5
SCHEMBL1808901 0.90 MGLL (0.63) ACHEHTTALDH1A1LMNAEPHX2
SCHEMBL693657 0.90 ALDH1A1 (0.55) ACHEHTTALDH1A1LMNASCD5
SCHEMBL13846190 0.87 KMT2A (0.57) HTTALDH1A1LMNASCD5KMT2A
SCHEMBL8357204 0.86 EPHX2 (0.61) ACHEHTTALDH1A1LMNASCD5
SCHEMBL5271411 0.85 EPHX2 (0.59) SCD5EPHX2SRD5A1
SCHEMBL913079 0.84 L3MBTL3 (0.56) HTTALDH1A1LMNAL3MBTL3L3MBTL1
SCHEMBL4578845 0.83 EPHX2 (0.58) SCD5EPHX2SRD5A1
SCHEMBL27748883 0.82 ACHE (0.68) ACHEALDH1A1LMNAEPHX1L3MBTL3
SCHEMBL4678438 0.82 ACHE (0.63) ACHEEPHX1L3MBTL3L3MBTL1EPHX2

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-20070010529-A1 Nitrogenous heterocyclic compounds and medical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-11 — — 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-20070010529-A1 Nitrogenous heterocyclic compounds and medical use thereof MAPK1, NOS1, NOS2 ACHE 1148/4885HTT 2432/4885ALDH1A1 1694/4885

“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.

Send feedback