SCHEMBL12200438

SCHEMBL12200438

Cc1ccn(C[C@@H]2COC(C)(C)O2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TMEM97 Q5BJF2 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
HSD17B10 Q99714 3/20 0.39
KDM4E B2RXH2 3/20 0.39
HPGD P15428 2/20 0.39
TSHR P16473 1/20 0.39
GAA P10253 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP1 P29466 1/20 0.34
BLM P54132 1/20 0.34

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
SCHEMBL12200443 1.00 ALDH1A1 (0.45) ALDH1A1NPSR1TMEM97SIGMAR1HSD17B10
SCHEMBL1059613 0.84 ALDH1A1 (0.41) ALDH1A1NPSR1TMEM97SIGMAR1HSD17B10
SCHEMBL610404 0.84 ALDH1A1 (0.41) ALDH1A1NPSR1TMEM97SIGMAR1HSD17B10
SCHEMBL610403 0.84 ALDH1A1 (0.41) ALDH1A1NPSR1TMEM97SIGMAR1HSD17B10
SCHEMBL1080225 0.79 TMEM97 (0.45) ALDH1A1NPSR1TMEM97SIGMAR1HSD17B10
SCHEMBL1064093 0.79 KMT2A (0.41) ALDH1A1NPSR1TMEM97SIGMAR1HSD17B10
SCHEMBL1061833 0.79 KMT2A (0.41) ALDH1A1NPSR1TMEM97SIGMAR1HSD17B10
SCHEMBL1061834 0.79 KMT2A (0.41) ALDH1A1NPSR1TMEM97SIGMAR1HSD17B10
SCHEMBL2662008 0.79 TMEM97 (0.45) ALDH1A1NPSR1TMEM97SIGMAR1HSD17B10
SCHEMBL15846862 0.78 MAPK14 (0.46) ALDH1A1NPSR1TMEM97SIGMAR1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9452977-B2 Cyclopentylacrylamide derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2016-09-27 US disclosed
US-9452977-B2 Cyclopentylacrylamide derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2016-09-27 US disclosed
US-9388168-B2 Process for the preparation of 1-([1,3]dioxolan-4-ylmethyl)-1H-pyrazol-3-ylamine HUA MEDICINE (KY) 2016-07-12 US disclosed
US-20150315176-A1 Process for the Preparation of 1-([1,3]dioxolan-4-ylmethyl)-1H-pyrazol-3-ylamine HUA MEDICINE (SHANGHAI) LTD. (CN) 2015-11-05 US disclosed
US-20150105581-A1 CYCLOPENTYLACRYLAMIDE DERIVATIVE TEIJIN LIMITED (JP) 2015-04-16 US disclosed
US-20150105581-A1 CYCLOPENTYLACRYLAMIDE DERIVATIVE TEIJIN LIMITED (JP) 2015-04-16 US disclosed
US-8946440-B2 Cyclopentylacrylamide derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2015-02-03 US disclosed
US-8946440-B2 Cyclopentylacrylamide derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2015-02-03 US disclosed
US-8034819-B2 Glucokinase activator KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-10-11 US disclosed
US-8034819-B2 Glucokinase activator KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-10-11 US disclosed
US-20110160211-A1 CYCLOPENTYLACRYLAMIDE DERIVATIVE TEIJIN LIMITED (JP) 2011-06-30 US disclosed
US-20110160211-A1 CYCLOPENTYLACRYLAMIDE DERIVATIVE TEIJIN LIMITED (JP) 2011-06-30 US disclosed
US-20100099671-A1 GLUCOKINASE ACTIVATOR TEIJIN LIMITED (JP) 2010-04-22 US disclosed
US-20100099671-A1 GLUCOKINASE ACTIVATOR TEIJIN LIMITED (JP) 2010-04-22 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-20110160211-A1 CYCLOPENTYLACRYLAMIDE DERIVATIVE GPR119, SLC5A1, SLC5A2 ALDH1A1 606/4885NPSR1 509/4885TMEM97 4272/4885
US-20150105581-A1 CYCLOPENTYLACRYLAMIDE DERIVATIVE GPR119, SLC5A1, SLC5A2 ALDH1A1 606/4885NPSR1 509/4885TMEM97 4272/4885
US-20150315176-A1 Process for the Preparation of 1-([1,3]dioxolan-4-ylmethyl)-1H-pyrazol-3-ylamine ACTN1, ACTB, ROCK1 ALDH1A1 569/4885NPSR1 2194/4885TMEM97 2066/4885
US-20100099671-A1 GLUCOKINASE ACTIVATOR GCK, GCKR, GALK1 ALDH1A1 2196/4885NPSR1 2450/4885TMEM97 3674/4885

“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.