SCHEMBL12209258

SCHEMBL12209258

CC(C)c1noc(C2CCN(c3nc4c(c(Nc5cccc(F)c5)n3)[S+]([O-])CC4)CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 3/20 0.46
▸ GPR119 Q8TDV5 13/20 0.43
▸ CNR2 P34972 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ CCR5 P51681 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33

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
SCHEMBL8060934 0.90 KDM4E (0.39) SCN9AGPR119KDM4EEPHX2
SCHEMBL12921306 0.86 SCN9A (0.46) SCN9AGPR119CNR2CYP3A4CYP2C19
SCHEMBL186976 0.85 CNR2 (0.42) SCN9AGPR119CNR2KDM4EEPHX2
SCHEMBL12921277 0.83 KDM4E (0.41) SCN9AKDM4E
SCHEMBL8054191 0.83 SCN9A (0.31) SCN9AGPR119KDM4E
SCHEMBL8053453 0.83 GPR119 (0.44) SCN9AGPR119CNR2KDM4EEPHX2
SCHEMBL10266575 0.82 KDM4E (0.37) SCN9AKDM4E
SCHEMBL12921272 0.82 NPC1 (0.42) SCN9AKDM4E
SCHEMBL8060314 0.81 KDM4E (0.35) SCN9AKDM4E
SCHEMBL12209600 0.81 ACHE (0.42) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2610258-B1 Substituted piperidino dihydrothieno pyrimidines BOEHRINGER INGELHEIM INT (DE) 2014-08-27 — — EP disclosed
US-8754073-B2 Substituted piperazino-dihydrothienopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-17 — — US disclosed
US-8754073-B2 Substituted piperazino-dihydrothienopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-17 — — US disclosed
EP-2610258-A1 Substituted piperidino dihydrothieno pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-03 — — EP disclosed
EP-2380891-A1 Substituted piperidino-dihydrothienopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-26 — — EP disclosed
US-20110021501-A1 SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 — — 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 SCN9A 3425/4885GPR119 1759/4885CNR2 306/4885

“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.

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