SCHEMBL3506243

SCHEMBL3506243

COc1cc2c(cc1O)CN(C(=O)C(C)C)CC2

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.56
▸ KDM4E B2RXH2 2/20 0.55
▸ HSD17B10 Q99714 2/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ HCRTR2 O43614 5/20 0.53
▸ MAPK1 P28482 1/20 0.52
▸ KMT2A Q03164 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ HCRTR1 O43613 2/20 0.51
▸ CA2 P00918 2/20 0.49
▸ CA9 Q16790 2/20 0.49
▸ DPP8 Q6V1X1 1/20 0.49
▸ CA1 P00915 1/20 0.49
▸ CA7 P43166 1/20 0.49
▸ CA14 Q9ULX7 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ THRB P10828 1/20 0.49

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
SCHEMBL8793697 0.85 MAPK1 (0.56) HRH3KDM4EHSD17B10ALDH1A1TSHR
SCHEMBL9669207 0.85 MAPK1 (0.56) HRH3KDM4EHSD17B10ALDH1A1MAPK1
SCHEMBL3504393 0.85 MAPK1 (0.56) HRH3KDM4EHSD17B10ALDH1A1MAPK1
SCHEMBL19002614 0.84 HRH3 (0.58) HRH3KDM4EHSD17B10ALDH1A1TSHR
SCHEMBL3507895 0.83 DPP8 (0.57) HRH3KDM4EHSD17B10ALDH1A1TSHR
SCHEMBL11743606 0.81 KMT2A (0.58) KDM4EHSD17B10ALDH1A1TSHRMAPK1
SCHEMBL30133462 0.81 KMT2A (0.58) KDM4EHSD17B10ALDH1A1TSHRMAPK1
SCHEMBL3504748 0.81 KMT2A (0.58) KDM4EHSD17B10ALDH1A1TSHRMAPK1
SCHEMBL10799287 0.81 HRH3 (0.62) HRH3KDM4EHSD17B10ALDH1A1TSHR
SCHEMBL3504123 0.79 KMT2A (0.60) KDM4EHSD17B10ALDH1A1TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100217003-A1 1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES HAVING EFFECTS OF PREVENTING AND TREATING DEGENERATIVE AND INFLAMMATORY DISEASES UNIVERSITY OF ULSAN FOUNDATION FOR INDUSTRY COOPERATION (KR) 2010-08-26 — — US disclosed
EP-2117547-A1 1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES HAVING EFFECTS OF PREVENTING AND TREATING DEGENERATIVE AND INFLAMMATORY DISEASES University Of Ulsan Foundation For Industry Cooperation (KR) 2009-11-18 — — EP disclosed
WO-2008069632-A1 1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES HAVING EFFECTS OF PREVENTING AND TREATING DEGENERATIVE AND INFLAMMATORY DISEASES UNIVERSITY OF ULSAN FOUNDATION FOR INDUSTRY COOPERATION (KR) 2008-06-12 — — 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-20100217003-A1 1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES HAVING EFFECTS OF PREVENTING AND TREATING DEGENERATIVE AND INFLAMMATORY DISEASES NFKBIA, HMOX1, PTGS1 HRH3 1244/4885KDM4E 626/4885HSD17B10 553/4885

“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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