SCHEMBL8252773

SCHEMBL8252773

CC(C)Cc1ccc(N2CCCCC2)nc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.48
MAPT P10636 2/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
ALOX12 P18054 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PANK3 Q9H999 1/20 0.45
CNR2 P34972 9/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
UBE2T Q9NPD8 1/20 0.43
CNR1 P21554 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 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
SCHEMBL14367676 0.98 AOC3 (0.47) AOC3MAPTALDH1A1LMNAALOX12
SCHEMBL8245080 0.84 CYP11B1 (0.56) AOC3MAPTALDH1A1LMNAPANK3
SCHEMBL8429477 0.81 CYP1A2 (0.54) AOC3MAPTALDH1A1LMNAALOX12
SCHEMBL5234572 0.80 PANK3 (0.55) AOC3PANK3MEN1KMT2A
SCHEMBL9908392 0.80 HRH3 (0.53) AOC3MAPTALDH1A1LMNAALOX12
SCHEMBL2608886 0.79 AOC3 (0.42) AOC3MAPTALDH1A1LMNAALOX12
SCHEMBL987818 0.78 AOC3 (0.55) AOC3MAPTALDH1A1LMNAALOX12
SCHEMBL10254758 0.78 AOC3 (0.55) AOC3MAPTALDH1A1LMNAALOX12
SCHEMBL345439 0.78 ENPP2 (0.45) AOC3MAPTLMNAPANK3MEN1
SCHEMBL19821669 0.77 AOC3 (0.51) AOC3MAPTALDH1A1LMNAALOX12

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-9695166-B2 Pyrazolopyridine pyrazolopyrimidine and related compounds GLOBAL BLOOD THERAPEUTICS, INC. (US) 2017-07-04 US disclosed
WO-2015171527-A1 PYRAZOLOPYRIDINE PYRAZOLOPYRIMIDINE AND RELATED COMPOUNDS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2015-11-12 WO disclosed
US-20150315198-A1 PYRAZOLOPYRIDINE PYRAZOLOPYRIMIDINE AND RELATED COMPOUNDS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2015-11-05 US disclosed
US-7786122-B2 α-(N-sulfonamido)acetamide derivatives as β-amyloid inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-31 US disclosed
US-20080085894-A1 ALPHA-(N-SULFONAMIDO)ACETAMIDE DERIVATIVES AS BETA-AMYLOID INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-04-10 US disclosed
US-7300936-B2 α-(N-sulfonamido)acetamide derivatives as β-amyloid inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-27 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 (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-20150315198-A1 PYRAZOLOPYRIDINE PYRAZOLOPYRIMIDINE AND RELATED COMPOUNDS TPMT, DPYD, XDH AOC3 1668/4885MAPT 44/4885ALDH1A1 416/4885
US-20080085894-A1 ALPHA-(N-SULFONAMIDO)ACETAMIDE DERIVATIVES AS BETA-AMYLOID INHIBITORS APP, APBA1, BACE1 AOC3 2837/4885MAPT 59/4885ALDH1A1 1197/4885

“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.