SCHEMBL2959611

SCHEMBL2959611

COc1ccc(CCNC(=O)CCc2ccc(C(F)(F)F)nc2)cc1OC

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.64
MEN1 O00255 2/20 0.64
ALDH1A1 P00352 3/20 0.59
MAPT P10636 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
POLB P06746 2/20 0.55
GRK2 P25098 1/20 0.55
LMNA P02545 2/20 0.54
KDM4E B2RXH2 1/20 0.53
USP2 O75604 1/20 0.53
TP53 P04637 1/20 0.53
PKM P14618 1/20 0.53
ALOX15 P16050 1/20 0.53
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53
HTT P42858 1/20 0.53
HSD17B10 Q99714 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
SCHEMBL4022887 0.84 KMT2A (0.87) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL2474840 0.83 KMT2A (0.74) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL3739676 0.80 ACHE (0.56) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL4023394 0.79 KMT2A (0.79) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL4028185 0.78 KMT2A (0.73) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL264967 0.78 MAPT (0.53) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL6375210 0.78 KMT2A (0.81) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL23392535 0.78 MAPT (0.77) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL23417617 0.78 ALDH1A1 (0.77) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL21579855 0.78 POLB (0.65) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1751111-B1 SUBSTITUTED 1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2014-12-31 EP disclosed
EP-1751111-B1 SUBSTITUTED 1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2014-12-31 EP disclosed
CN-1926109-B Substituted 1,2,3, 4-tetrahydroisoquinoline derivatives ACTELION PHARMACEUTICALS LTD 2011-04-13 CN disclosed
US-20100256182-A1 SUBSTITUTED 1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES AISSAOUI HAMED 2010-10-07 US disclosed
US-20100256182-A1 SUBSTITUTED 1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES AISSAOUI HAMED 2010-10-07 US disclosed
US-20100256182-A1 SUBSTITUTED 1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES AISSAOUI HAMED 2010-10-07 US disclosed
US-7763638-B2 Substituted 1,2,3,4-tetrahydroisoquinoline derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2010-07-27 US disclosed
US-7763638-B2 Substituted 1,2,3,4-tetrahydroisoquinoline derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2010-07-27 US disclosed
US-7763638-B2 Substituted 1,2,3,4-tetrahydroisoquinoline derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2010-07-27 US disclosed
US-20070191424-A1 Substituted 1,2,3,4-tetrahydroisoquinoline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2007-08-16 US disclosed
US-20070191424-A1 Substituted 1,2,3,4-tetrahydroisoquinoline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2007-08-16 US disclosed
US-20070191424-A1 Substituted 1,2,3,4-tetrahydroisoquinoline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2007-08-16 US disclosed
CN-1926109-A Substituted 1,2,3, 4-tetrahydroisoquinoline derivatives ACTELION PHARMACEUTICALS LTD (CH) 2007-03-07 CN disclosed
EP-1751111-A1 SUBSTITUTED 1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2007-02-14 EP disclosed
WO-2005118548-A1 SUBSTITUTED 1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2005-12-15 WO disclosed
WO-2005118548-A1 SUBSTITUTED 1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2005-12-15 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 (2 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-20100256182-A1 SUBSTITUTED 1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES CYP4B1, RECQL, NQO1 KMT2A 2266/4885MEN1 751/4885ALDH1A1 477/4885
US-20070191424-A1 Substituted 1,2,3,4-tetrahydroisoquinoline derivatives CPT1A, NQO1, COQ8A KMT2A 2028/4885MEN1 2601/4885ALDH1A1 1448/4885

“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.