SCHEMBL3659341

SCHEMBL3659341

[2H]C([2H])([2H])Oc1ccc(CCNC(=O)CCc2ccc(C(F)(F)F)cc2)cc1OC([2H])([2H])[2H]

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.63
MEN1 O00255 4/20 0.63
ALDH1A1 P00352 3/20 0.53
TP53 P04637 2/20 0.52
MAPT P10636 3/20 0.50
PTGER1 P34995 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
POLB P06746 1/20 0.49
LMNA P02545 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
SCHEMBL2474840 0.92 KMT2A (0.74) KMT2AMEN1ALDH1A1MAPTPTGER1
SCHEMBL12055848 0.87 KMT2A (0.47) KMT2AMEN1ALDH1A1TP53SMN1; SMN2
SCHEMBL4022887 0.80 KMT2A (0.87) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL4027607 0.80 KMT2A (0.59) KMT2AMEN1ALDH1A1MAPTPTGER1
SCHEMBL4023394 0.79 KMT2A (0.79) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL6375210 0.77 KMT2A (0.81) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL2959611 0.76 KMT2A (0.64) KMT2AMEN1ALDH1A1TP53MAPT
SCHEMBL5899116 0.76 CA1 (0.61) KMT2AMEN1
SCHEMBL4028185 0.75 KMT2A (0.73) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL21579855 0.74 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8084464-B2 Tetrahydroisoquinoline derivatives CONCERT PHARMACEUTICALS, INC. (US) 2011-12-27 US disclosed
US-8084464-B2 Tetrahydroisoquinoline derivatives CONCERT PHARMACEUTICALS, INC. (US) 2011-12-27 US disclosed
EP-2231155-A1 TETRAHYDROISOQUINOLINE DERIVATIVES Concert Pharmaceuticals Inc. (US) 2010-09-29 EP disclosed
US-20090192188-A1 TETRAHYDROISOQUINOLINE DERIVATIVES SUN PHARMACEUTICAL INDUSTRIES, INC. 2009-07-30 US disclosed
US-20090192188-A1 TETRAHYDROISOQUINOLINE DERIVATIVES SUN PHARMACEUTICAL INDUSTRIES, INC. 2009-07-30 US disclosed
WO-2009079637-A1 TETRAHYDROISOQUINOLINE DERIVATIVES CONCERT PHARMACEUTICALS, INC. (US) 2009-06-25 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-20090192188-A1 TETRAHYDROISOQUINOLINE DERIVATIVES HCRTR2, HCRTR1, OXTR KMT2A 592/4885MEN1 860/4885ALDH1A1 1612/4885

“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.