SCHEMBL17740323

SCHEMBL17740323

CN1CCN(c2ccc(NC(=O)c3cccc(OCc4ccccc4)c3)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 1.00
KMT2A Q03164 4/20 1.00
MAPK1 P28482 2/20 1.00
USP2 O75604 1/20 1.00
ESR2 Q92731 1/20 1.00
TAAR1 Q96RJ0 1/20 1.00
ALDH1A1 P00352 5/20 0.82
LMNA P02545 3/20 0.82
TDP1 Q9NUW8 3/20 0.82
KDM4E B2RXH2 2/20 0.82
NPSR1 Q6W5P4 2/20 0.82
HPGD P15428 1/20 0.82
HTT P42858 1/20 0.82
TSHR P16473 2/20 0.72
GAA P10253 1/20 0.72
SMN1; SMN2 Q16637 2/20 0.66
NPC1 O15118 4/20 0.66
RAB9A P51151 4/20 0.66
MEN1 O00255 3/20 0.64
NR1H4 Q96RI1 1/20 0.60

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
SCHEMBL22778811 0.90 MAPT (0.81) MAPTKMT2AMAPK1USP2ESR2
SCHEMBL17740308 0.89 MAPT (0.81) MAPTKMT2AMAPK1USP2ESR2
SCHEMBL24774028 0.84 MAPT (0.71) MAPTKMT2AMAPK1USP2ESR2
SCHEMBL18737222 0.83 MAPT (0.82) MAPTKMT2AMAPK1USP2ESR2
SCHEMBL12530012 0.82 MAPT (0.69) MAPTKMT2AMAPK1USP2ESR2
SCHEMBL13025577 0.81 MAPT (0.68) MAPTKMT2AMAPK1USP2ESR2
SCHEMBL339004 0.79 MAPT (0.66) MAPTKMT2AMAPK1USP2ESR2
SCHEMBL7078440 0.79 NR1H4 (0.72) MAPTKMT2AMAPK1USP2ESR2
SCHEMBL340905 0.79 ALDH1A1 (0.66) MAPTKMT2AMAPK1USP2ESR2
SCHEMBL4178519 0.78 USP2 (0.63) MAPTKMT2AMAPK1USP2ESR2

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-20240067600-A1 SMALL MOLECULE INHIBITORS OF THE MITOCHONDRIAL PERMEABILITY TRANSITION PORE (mtPTP) UNIVERSITY OF KANSAS (US) 2024-02-29 US disclosed
US-10865181-B2 Small molecule inhibitors of the mitochondrial permeability transition pore (mtPTP) UNIVERSITY OF KANSAS (US) 2020-12-15 US disclosed
WO-2016073633-A1 SMALL MOLECULE INHIBITORS OF THE MITOCHONDRIAL PERMEABILITY TRANSITION PORE (mtPTP) UNIVERSITY OF KANSAS (US) 2016-05-12 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 (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-20240067600-A1 SMALL MOLECULE INHIBITORS OF THE MITOCHONDRIAL PERMEABILITY TRANSITION PORE (mtPTP) MTCH2, TIMM50, TIMM10 MAPT 260/4885KMT2A 4536/4885MAPK1 2246/4885
US-10865181-B2 Small molecule inhibitors of the mitochondrial permeability transition pore (mtPTP) MTCH2, TIMM50, TIMM10 MAPT 260/4885KMT2A 4536/4885MAPK1 2246/4885

“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.