SCHEMBL16982522

SCHEMBL16982522

CC(C)Oc1cc(C(=O)N2CCN(C)CC2)ccc1N

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.51
▸ MEN1 O00255 4/20 0.51
▸ HPGD P15428 5/20 0.50
▸ TSHR P16473 1/20 0.50
▸ POLB P06746 5/20 0.49
▸ GAA P10253 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ LRRK2 Q5S007 1/20 0.48
▸ ALOX15 P16050 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44

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
SCHEMBL16982497 0.88 KMT2A (0.53) KMT2AMEN1HPGDTSHRPOLB
SCHEMBL15652167 0.86 HSP90AA1 (0.54) KMT2AMEN1HPGDGAAHTT
SCHEMBL520418 0.85 POLB (0.63) KMT2AMEN1HPGDTSHRPOLB
SCHEMBL29531076 0.85 POLB (0.63) KMT2AMEN1HPGDTSHRPOLB
SCHEMBL16982338 0.82 NPSR1 (0.61) KMT2AMEN1HPGDTSHRPOLB
SCHEMBL4246868 0.81 EPHX2 (0.54) KMT2AMEN1HPGDTSHRPOLB
SCHEMBL16982489 0.80 L3MBTL1 (0.52) KMT2AMEN1HPGDTSHRPOLB
SCHEMBL3046514 0.80 KMT2A (0.62) KMT2AMEN1HPGDTSHRPOLB
SCHEMBL15880929 0.79 ALDH1A1 (0.59) KMT2AHPGDPOLBGAAHTT
SCHEMBL16982527 0.78 HTR4 (0.48) KMT2AMEN1HPGDTSHRPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3099694-B1 COMPOUNDS GLAXOSMITHKLINE IP DEV LTD (GB) 2019-01-16 — — EP disclosed
EP-3099694-B1 COMPOUNDS GLAXOSMITHKLINE IP DEV LTD (GB) 2019-01-16 — — EP disclosed
US-9815841-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-11-14 — — US disclosed
US-9815841-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-11-14 — — US disclosed
US-9815841-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-11-14 — — US disclosed
US-20170022204-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-01-26 — — US disclosed
US-20170022204-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-01-26 — — US disclosed
US-20170022204-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-01-26 — — US disclosed
WO-2015113451-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-08-06 — — 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-20170022204-A1 COMPOUNDS LRRK2, PARK7, PINK1 KMT2A 2719/4885MEN1 4512/4885HPGD 3255/4885

“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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