SCHEMBL974705

SCHEMBL974705

CC(C)(C)OC(=O)N1CCC(Oc2ccc3c(c2)CCNCC3C(=O)C2CC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.49
HRH3 Q9Y5N1 2/20 0.49
ALK Q9UM73 1/20 0.43
CHEK2 O96017 1/20 0.43
KDM1A O60341 1/20 0.42
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
STS P08842 2/20 0.40

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
SCHEMBL974325 0.83 HRH3 (0.60) GPR119HRH3ALKCHEK2KDM1A
SCHEMBL974703 0.77 GPR119 (0.55) GPR119HRH3ALKCHEK2
SCHEMBL6671296 0.75 HRH3 (0.57) GPR119HRH3ALKCHEK2
SCHEMBL15380030 0.73 PTPN2 (0.61) GPR119CHEK2STS
SCHEMBL15380031 0.73 PTPN2 (0.61) GPR119CHEK2STS
SCHEMBL4403540 0.73 HRH3 (0.47) GPR119HRH3ALKCHEK2KDM1A
SCHEMBL429773 0.73 HRH3 (0.55) GPR119HRH3ALKCHEK2KDM1A
SCHEMBL31013899 0.73 GPR119 (0.56) GPR119HRH3ALKCHEK2
SCHEMBL1795021 0.72 GPR119 (0.61) GPR119HRH3ALKCHEK2
SCHEMBL1809399 0.72 GPR119 (0.57) GPR119HRH3CHEK2KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8754073-B2 Substituted piperazino-dihydrothienopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-17 US disclosed
US-20110021501-A1 SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 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 (1 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-20110021501-A1 SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES DPYD, P2RX1, P2RX5 GPR119 1759/4885HRH3 110/4885ALK 204/4885

“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.