SCHEMBL1645101

SCHEMBL1645101

Cc1ccc([C@@H](C)NC(=O)c2ccc3cc(N4CCOCC4)ccc3c2)cc1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
GAA P10253 2/20 0.51
MAPT P10636 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPK1 P28482 2/20 0.51
UBE2N P61088 1/20 0.49
LMNA P02545 1/20 0.48
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
TP53 P04637 2/20 0.45
ACACB O00763 1/20 0.45
LRRK2 Q5S007 1/20 0.44
KCNQ3 O43525 1/20 0.44
KCNQ2 O43526 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP19A1 P11511 1/20 0.44
CYP2C9 P11712 1/20 0.44
POLB P06746 1/20 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
SCHEMBL1643824 0.90 ACACB (0.47) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL1644482 0.90 ACACB (0.47) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL1643038 0.89 ACACB (0.46) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL1645249 0.87 UBE2N (0.46) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL1643774 0.78 TP53 (0.55) MEN1KMT2ATP53CYP1A2CYP2C9
SCHEMBL1645472 0.77 GFER (0.41) ALDH1A1MAPTMEN1KMT2AUBE2N
SCHEMBL1285209 0.77 GFER (0.42) ALDH1A1MAPTMEN1KMT2AUBE2N
SCHEMBL1646174 0.77 GFER (0.42) ALDH1A1MAPTMEN1KMT2AUBE2N
SCHEMBL1644966 0.76 KMT2A (0.51) ALDH1A1MEN1KMT2ALMNATP53
SCHEMBL1644476 0.76 HPGD (0.52) ALDH1A1GAAMEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME PFIZER INC. (US) 2012-04-12 US 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-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME TRPV1, TRPA1, TRPV2 ALDH1A1 1265/4885GAA 3364/4885MAPT 3251/4885

“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.