SCHEMBL4410499

SCHEMBL4410499

COC(=O)c1ccc(N2CCN(C)[C@@H](C)C2)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
MAPT P10636 4/20 0.44
TSHR P16473 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 3/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.44
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
MGLL Q99685 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HTT P42858 1/20 0.43
ADRA2A P08913 2/20 0.43
ADRA2B P18089 2/20 0.43
ADRA2C P18825 2/20 0.43
GRM2 Q14416 1/20 0.42

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
SCHEMBL4409961 1.00 ALDH1A1 (0.54) ALDH1A1MAPTTSHRSMN1; SMN2NPC1
SCHEMBL65016 1.00 ALDH1A1 (0.54) ALDH1A1MAPTTSHRSMN1; SMN2NPC1
SCHEMBL64983 0.85 HTT (0.50) ALDH1A1TSHRSMN1; SMN2KMT2APOLB
SCHEMBL1921934 0.84 USP2 (0.58) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL14598813 0.84 MAPT (0.50) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL24890805 0.83 ALDH1A1 (0.51) ALDH1A1MAPTTSHRSMN1; SMN2NPC1
SCHEMBL15630932 0.80 ALDH1A1 (0.54) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL27812550 0.80 ALDH1A1 (0.54) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL65696 0.79 ALDH1A1 (0.71) ALDH1A1MAPTTSHRSMN1; SMN2NPC1
SCHEMBL24890975 0.78 HDAC1 (0.50) ALDH1A1MAPTSMN1; SMN2

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-20090318468-A1 PYRAZOLE COMPOUNDS 436 ASTRAZENECA AB (SE) 2009-12-24 US disclosed
US-20090318468-A1 PYRAZOLE COMPOUNDS 436 ASTRAZENECA AB (SE) 2009-12-24 US disclosed
US-20090318468-A1 PYRAZOLE COMPOUNDS 436 ASTRAZENECA AB (SE) 2009-12-24 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-20090318468-A1 PYRAZOLE COMPOUNDS 436 CYP3A43, CYP3A7, CYP3A4 ALDH1A1 283/4885MAPT 1028/4885TSHR 2321/4885

“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.