SCHEMBL2020772

SCHEMBL2020772

Nc1ncc(SCCN2CCCC2CO)s1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 6/20 0.37
SPHK1 Q9NYA1 6/20 0.37
HRH3 Q9Y5N1 4/20 0.36
CHRM1 P11229 2/20 0.36
MCHR1 Q99705 2/20 0.36
HTR2A P28223 1/20 0.36
PAK4 O96013 1/20 0.35
CDK2 P24941 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
MYC P01106 1/20 0.33
WDR5 P61964 1/20 0.33
ESR1 P03372 2/20 0.32
ESR2 Q92731 2/20 0.32

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
SCHEMBL2020769 1.00 SPHK2 (0.37) SPHK2SPHK1HRH3CHRM1MCHR1
SCHEMBL12574478 0.85 SPHK1 (0.39) SPHK2SPHK1HRH3CHRM1MCHR1
SCHEMBL1024989 0.82 HRH3 (0.41) HRH3CDK2
SCHEMBL12635793 0.81 SLC6A9 (0.36)
SCHEMBL1023537 0.80 MYC (0.35) CDK2MYCWDR5
SCHEMBL2025538 0.78 LTA4H (0.44)
SCHEMBL2025542 0.78 LTA4H (0.44)
SCHEMBL2023377 0.76 KDM4E (0.41) HRH3
SCHEMBL2023375 0.76 KDM4E (0.41) HRH3
SCHEMBL1347559 0.74 ALOX15 (0.48) HRH3CDK2MYCWDR5

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 4 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-20110160211-A1 CYCLOPENTYLACRYLAMIDE DERIVATIVE TEIJIN LIMITED (JP) 2011-06-30 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-20110160211-A1 CYCLOPENTYLACRYLAMIDE DERIVATIVE GPR119, SLC5A1, SLC5A2 SPHK2 928/4885SPHK1 440/4885HRH3 3240/4885
US-20150105581-A1 CYCLOPENTYLACRYLAMIDE DERIVATIVE GPR119, SLC5A1, SLC5A2 SPHK2 928/4885SPHK1 440/4885HRH3 3240/4885

“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.