SCHEMBL12125448

SCHEMBL12125448

CC(=O)OCC(=O)N1CCC(C(C)C)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 1/20 0.45
▸ ALDH1A1 P00352 5/20 0.41
▸ MAPT P10636 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.39
▸ TSHR P16473 3/20 0.39
▸ ATM Q13315 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ CASP6 P55212 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL14023006 0.83 NPC1 (0.42) ALDH1A1MAPTTP53KDM4EHPGD
SCHEMBL824150 0.83 ALDH1A1 (0.48) HCRTR2ALDH1A1MAPTTSHRKMT2A
SCHEMBL19704627 0.81 CPN1 (0.40) ALDH1A1TP53KDM4EHPGDNPC1
SCHEMBL22875066 0.81 ALDH1A1 (0.54) ALDH1A1MAPTTP53KDM4ETSHR
SCHEMBL12128699 0.81 NPC1 (0.56) ALDH1A1MAPTTP53KDM4ETSHR
SCHEMBL2603234 0.80 ALDH1A1 (0.41) ALDH1A1TP53MEN1KMT2ANPC1
SCHEMBL3579662 0.79 RAB9A (0.43) ALDH1A1MAPTTP53KDM4ETSHR
SCHEMBL20381498 0.79 ALDH1A1 (0.37) ALDH1A1TP53KDM4ETSHRHPGD
SCHEMBL25581265 0.79 ALDH1A1 (0.42) ALDH1A1TP53TSHRHPGDNPC1
SCHEMBL12448276 0.78 ALDH1A1 (0.38) HCRTR2ALDH1A1MAPTTP53KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators ILDONG PHARMACEUTICAL CO., LTD. (KR) 2023-11-28 — — US disclosed
US-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators ILDONG PHARMACEUTICAL CO., LTD. (KR) 2023-11-28 — — US disclosed
US-8883828-B2 2-aminopyridine analogs as glucokinase activators ARRAY BIOPHARMA INC. (US) 2014-11-11 — — US disclosed
US-20130065901-A1 2-AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2013-03-14 — — US disclosed
US-20130065901-A1 2-AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2013-03-14 — — US disclosed
US-8354540-B2 2-aminopyridine analogs as glucokinase activators ARRAY BIOPHARMA INC. (US) 2013-01-15 — — US disclosed
US-20110281874-A1 2-AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2011-11-17 — — US disclosed
US-8022223-B2 2-aminopyridine analogs as glucokinase activators ARRAY BIOPHARMA, INC. (US) 2011-09-20 — — US disclosed
US-8022223-B2 2-aminopyridine analogs as glucokinase activators ARRAY BIOPHARMA, INC. (US) 2011-09-20 — — US disclosed
US-20090156603-A1 2-AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2009-06-18 — — US disclosed
US-20090156603-A1 2-AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2009-06-18 — — 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 (4 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-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators PDE4A, PDE4B, PDE5A HCRTR2 4683/4885ALDH1A1 983/4885MAPT 4661/4885
US-20090156603-A1 2-AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS GCK, GCKR, PRKCSH HCRTR2 3422/4885ALDH1A1 649/4885MAPT 3414/4885
US-20130065901-A1 2-AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS GCK, GCKR, GALK1 HCRTR2 4495/4885ALDH1A1 1205/4885MAPT 3549/4885
US-20110281874-A1 2-AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS GCK, GCKR, GALK1 HCRTR2 4495/4885ALDH1A1 1205/4885MAPT 3549/4885

“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.

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