SCHEMBL2542633

SCHEMBL2542633

CCCOC(=O)C1C[CH]C1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 1/20 0.42
PTPN1 P18031 1/20 0.42
PPP1CC P36873 1/20 0.42
ALDH1A1 P00352 3/20 0.38
LMNA P02545 1/20 0.37
CHRM1 P11229 2/20 0.36
ESR1 P03372 1/20 0.36
TSHR P16473 1/20 0.36
SLC6A2 P23975 1/20 0.36
KDR P35968 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM3 P20309 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
SCHEMBL2534660 0.86 PPM1B (0.42) PPM1BPTPN1PPP1CCALDH1A1LMNA
SCHEMBL2534205 0.83
SCHEMBL526510 0.80 PPM1B (0.55) PPM1BPTPN1PPP1CCALDH1A1HCAR2
SCHEMBL1297951 0.80 PPM1B (0.46) PPM1BPTPN1PPP1CCALDH1A1LMNA
SCHEMBL6141464 0.80
SCHEMBL6880398 0.78 NAAA (0.46) ALDH1A1LMNATSHRNPSR1HCAR2
SCHEMBL8695709 0.77 PPM1B (0.51) PPM1BPTPN1PPP1CCALDH1A1TDP1
SCHEMBL453228 0.77 PPM1B (0.51) PPM1BPTPN1PPP1CCALDH1A1TDP1
SCHEMBL1245668 0.77 PPM1B (0.47) PPM1BPTPN1PPP1CCALDH1A1NPSR1
SCHEMBL2533154 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8044070-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2011-10-25 US disclosed
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE MSD K.K. (JP) 2010-08-19 US disclosed
US-7595316-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-09-29 US disclosed
US-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2006-08-10 US disclosed
EP-1642898-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-04-05 EP 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-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative HRH3, HRH4, HCRTR2 PPM1B 3217/4885PTPN1 1389/4885PPP1CC 4605/4885
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE HRH3, HRH4, HRH2 PPM1B 3790/4885PTPN1 1609/4885PPP1CC 4782/4885

“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.