SCHEMBL1107397

SCHEMBL1107397

CCOP(=O)(Cc1cnc(C)cn1)OCC

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
HTT P42858 2/20 0.36
GCK P35557 1/20 0.34
PPARD Q03181 1/20 0.33
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
POLB P06746 1/20 0.31
LMNA P02545 1/20 0.31
EGFR P00533 1/20 0.30
CCNT1 O60563 1/20 0.30
CDK9 P50750 1/20 0.30

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
SCHEMBL12574395 0.85 KDM4E (0.40) TSHRKDM4EMAPTHTTHPGD
SCHEMBL1107380 0.81 TSHR (0.36) TSHRKDM4EMAPTHTTGCK
SCHEMBL13478461 0.79 KDM4E (0.41) TSHRKDM4EMAPTHTTGCK
SCHEMBL17017353 0.78 KDM4E (0.54) TSHRKDM4EMAPTHTTHPGD
SCHEMBL1827920 0.77 GCK (0.46) TSHRKDM4EMAPTHTTGCK
SCHEMBL6061541 0.76 TSHR (0.38) TSHRKDM4EMAPTHTTGCK
SCHEMBL1107405 0.75 KDM4E (0.40) TSHRKDM4EMAPTHTTCCNT1
SCHEMBL970301 0.75 TSHR (0.36) TSHRKDM4EMAPTHTTPPARD
SCHEMBL1106224 0.73 GBA1 (0.41) TSHRKDM4EMAPTLMNA
SCHEMBL30563036 0.73 GBA1 (0.41) TSHRKDM4EMAPTLMNA

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 8 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-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-20120142636-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2012-06-07 US disclosed
US-8153677-B2 Substituted pyrazolylamide compounds useful as glucokinase activators BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-10 US disclosed
US-20110160211-A1 CYCLOPENTYLACRYLAMIDE DERIVATIVE TEIJIN LIMITED (JP) 2011-06-30 US disclosed
US-20110130365-A1 Fluorinated Heteroaryls BENBOW JOHN W 2011-06-02 US disclosed
US-20110118211-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2011-05-19 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 (5 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 TSHR 1677/4885KDM4E 2516/4885MAPT 4834/4885
US-20110118211-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, MPO, GCK TSHR 787/4885KDM4E 2426/4885MAPT 4710/4885
US-20150105581-A1 CYCLOPENTYLACRYLAMIDE DERIVATIVE GPR119, SLC5A1, SLC5A2 TSHR 1677/4885KDM4E 2516/4885MAPT 4834/4885
US-20110130365-A1 Fluorinated Heteroaryls GCKR, GALK1, GCK TSHR 472/4885KDM4E 3429/4885MAPT 4277/4885
US-20120142636-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 TSHR 892/4885KDM4E 2019/4885MAPT 4446/4885

“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.