SCHEMBL2748535

SCHEMBL2748535

CN1CCC(N(C)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.50
MAPT P10636 4/20 0.49
ALDH1A1 P00352 2/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
NOS3 P29474 1/20 0.46
NOS1 P29475 1/20 0.46
NOS2 P35228 1/20 0.46
LMNA P02545 3/20 0.46
NPC1 O15118 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPK1 P28482 3/20 0.43

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
SCHEMBL2750399 0.93 MAPT (0.47) STAT3MAPTALDH1A1KMT2AMEN1
SCHEMBL5754545 0.93 MAPT (0.47) STAT3MAPTALDH1A1KMT2AMEN1
SCHEMBL1700013 0.80 HTT (0.46) MAPTALDH1A1KMT2AHTR2AHTR2C
SCHEMBL1264147 0.78 HTR2A (0.48) ALDH1A1HTR2AHTR2CNOS3NOS1
SCHEMBL1407806 0.78 ALDH1A1 (0.47) MAPTALDH1A1KMT2AHTR2AHTR2C
SCHEMBL5570150 0.77 ALDH1A1 (0.54) MAPTALDH1A1KMT2ALMNAHTT
SCHEMBL2749497 0.76 MAPT (0.49) STAT3MAPTALDH1A1KMT2AMEN1
SCHEMBL1164779 0.74 MAPT (0.51) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL29748739 0.74 MAPT (0.73) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL2976966 0.74 MAPT (0.73) MAPTALDH1A1KMT2AMEN1LMNA

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-8178557-B2 Compounds and methods of use AMGEN INC. (US) 2012-05-15 US disclosed
US-20090176774-A1 Compounds and methods of use AMGEN INC. (US) 2009-07-09 US disclosed
US-7435823-B2 Compounds and methods of use AMGEN INC. (US) 2008-10-14 US disclosed
US-20060241115-A1 Compounds and methods of use AMGEN INC. 2006-10-26 US disclosed
EP-1713484-A2 COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2006-10-25 EP disclosed
WO-2005070891-A2 COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2005-08-04 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-20060241115-A1 Compounds and methods of use HGF, HGFAC, MET STAT3 551/4885MAPT 2653/4885ALDH1A1 81/4885
US-20090176774-A1 Compounds and methods of use HGF, HGFAC, MET STAT3 551/4885MAPT 2653/4885ALDH1A1 81/4885

“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.