SCHEMBL13623664

SCHEMBL13623664

CCC(=O)c1ccc(N)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.46
MAPT P10636 6/20 0.46
TDP1 Q9NUW8 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 4/20 0.43
CYP3A4 P08684 2/20 0.43
TSHR P16473 2/20 0.43
S100B P04271 1/20 0.43
ESR1 P03372 2/20 0.42
AR P10275 1/20 0.42
ESR2 Q92731 1/20 0.42
SKP2 Q13309 1/20 0.42
HTT P42858 2/20 0.41
HPGD P15428 2/20 0.41
PPARA Q07869 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
THRB P10828 1/20 0.40
NPC1 O15118 1/20 0.40

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
Diethylamine SCHEMBL11837699 0.92 ATM (0.41) ATMMAPTTDP1SMN1; SMN2L3MBTL1
SCHEMBL14648650 0.85 TDP1 (0.48) MAPTTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL7049515 0.85 MAPT (0.66) ATMMAPTTDP1SMN1; SMN2L3MBTL1
SCHEMBL10740176 0.84 ATM (0.49) ATMMAPTTDP1SMN1; SMN2L3MBTL1
SCHEMBL7701905 0.82 ALDH1A1 (0.53) ATMMAPTSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL28632380 0.81 MAPT (0.43) MAPTTDP1SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL7343180 0.81 HPGD (0.49) ATMMAPTSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL28381250 0.81 ATM (0.46) ATMMAPTSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL770793 0.81 CHRNA1 (0.47) ATMMAPTSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL10764064 0.80 KMT2A (0.58) MAPTTDP1SMN1; SMN2L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9365612-B2 Caspase inhibitors UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-06-14 US disclosed
US-20090280106-A1 Pituitary adenylate cyclase acivating peptide (pacap) receptor (vpac2) agonists and their pharmacological methods of use BAYER PHARMACEUTICALS CORPORATION (US) 2009-11-12 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-20090280106-A1 Pituitary adenylate cyclase acivating peptide (pacap) receptor (vpac2) agonists and their pharmacological methods of use ADCYAP1R1, VIPR2, ADCY2 ATM 3846/4885MAPT 4286/4885TDP1 4059/4885

“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.