SCHEMBL3054487

SCHEMBL3054487

O=C(c1ccccc1)N1CCc2cc(OCc3ccccc3)ccc2C1=O

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.58
MAOB P27338 3/20 0.58
ITGB3 P05106 10/20 0.55
ITGA2B P08514 10/20 0.55
NAAA Q02083 2/20 0.54
HRH3 Q9Y5N1 2/20 0.51
PDK1 Q15118 1/20 0.48
PDK2 Q15119 1/20 0.48
PDK3 Q15120 1/20 0.48
PDK4 Q16654 1/20 0.48
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL3051822 0.90 MAOA (0.52) MAOAMAOBITGB3ITGA2BNAAA
SCHEMBL3058995 0.80 ALDH1A1 (0.52) MAOAMAOBPDK1PDK2PDK3
SCHEMBL3051091 0.79 CA2 (0.54) NAAAALDH1A1
SCHEMBL22713794 0.79 AOC3 (0.63) MAOAMAOBITGB3ITGA2BHRH3
SCHEMBL12559562 0.77 RAB9A (0.53) ALDH1A1
SCHEMBL3055962 0.77 HRH3 (0.60) ITGB3ITGA2BHRH3ALDH1A1
SCHEMBL6475103 0.76 ITGB3 (0.62) MAOAMAOBITGB3ITGA2B
SCHEMBL3050440 0.76 NAAA (0.52) NAAAALDH1A1
SCHEMBL3171392 0.75 CA2 (0.51) ALDH1A1
SCHEMBL3056355 0.75 CA2 (0.52) NAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155192-B1 TETRAHYDROISOQUINOLINES AS TUMOUR GROWTH INHIBITORS STERIX LTD (GB) 2016-09-28 EP disclosed
US-8394825-B2 Compound STERIX LIMITED (GB) 2013-03-12 US disclosed
US-20100222299-A1 COMPOUND STERIX LIMITED (GB) 2010-09-02 US disclosed
EP-2155192-A2 TETRAHYDROISOQUINOLINES AS TUMOUR GROWTH INHIBITORS Sterix Limited (GB) 2010-02-24 EP disclosed
WO-2008117061-A2 TETRAHYDROISOQUINOLINES AS TUMOUR GROWTH INHIBITORS STERIX LIMITED (GB) 2008-10-02 WO 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-20100222299-A1 COMPOUND MKI67, VHL, MYC MAOA 2205/4885MAOB 1395/4885ITGB3 4504/4885

“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.