SCHEMBL7106084

SCHEMBL7106084

NC(=Nc1ccccc1OC(F)(F)F)N1CCCc2cc(C(F)(F)F)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.41
KMT2A Q03164 2/20 0.41
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
GPBAR1 Q8TDU6 1/20 0.37
MAPT P10636 3/20 0.36
NPC1 O15118 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTR2A P28223 3/20 0.36
HTR2C P28335 3/20 0.36
LMNA P02545 3/20 0.35
HSD17B10 Q99714 1/20 0.35
NR1H3 Q13133 1/20 0.35

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
SCHEMBL7099393 0.87 SIGMAR1 (0.44) NOTUMKMT2AMAPTMAPK1L3MBTL1
Hydrochloric Acid SCHEMBL6775782 0.86 SIGMAR1 (0.43) NOTUMKMT2AMAPTMAPK1L3MBTL1
SCHEMBL7103248 0.77 NOTUM (0.43) NOTUMKMT2APDK1PDK2PDK3
SCHEMBL8300934 0.76 NOTUM (0.41) NOTUMKMT2APDK1PDK2PDK3
SCHEMBL7101931 0.73 KMT2A (0.41) NOTUMKMT2AMAPTNPC1MAPK1
SCHEMBL7098844 0.72 SIGMAR1 (0.55) NOTUMKMT2APDK1PDK2PDK3
Hydrochloric Acid SCHEMBL6775753 0.71 KMT2A (0.41) NOTUMKMT2AMAPTNPC1MAPK1
SCHEMBL7099398 0.71 KMT2A (0.40) NOTUMKMT2AMAPTNPC1MAPK1
SCHEMBL7613843 0.70 KMT2A (0.39) NOTUMKMT2AMAPTNPC1MAPK1
SCHEMBL7099559 0.70 KMT2A (0.60) NOTUMKMT2AMAPTNPSR1L3MBTL1

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
US-20030153763-A1 Pharmaceutically active compounds and methods of use WYETH 2003-08-14 US claimed
US-20020099084-A1 Pharmaceutically active compounds and methods of use WYETH 2002-07-25 US claimed
EP-0925300-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-06-30 EP claimed
EP-0925300-A4 1999-06-30 EP claimed
WO-1997030054-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 1997-08-21 WO claimed
EP-0925300-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-06-30 EP disclosed
EP-0925300-A4 1999-06-30 EP disclosed
WO-1999002145-A1 COMBINATION DRUG THERAPIES COMPRISING AMINOGLYCOSIDE ANTIBIOTICS AND N,N'-DISUBSTITUTED GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-01-21 WO disclosed
WO-1997030054-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 1997-08-21 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-20030153763-A1 Pharmaceutically active compounds and methods of use ACHE, PARK7, NLN NOTUM 439/4885KMT2A 3542/4885PDK1 825/4885
US-20020099084-A1 Pharmaceutically active compounds and methods of use ACHE, PARK7, NLN NOTUM 439/4885KMT2A 3542/4885PDK1 825/4885

“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.