SCHEMBL8043798

SCHEMBL8043798

CC(C)[C@H](CO)Nc1nc(N2CCC(C#N)(c3ccccc3)CC2)nc2c1[S+]([O-])CC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 1/20 0.37
▸ ADRA1D P25100 3/20 0.35
▸ ADRA1A P35348 3/20 0.35
▸ ADRA1B P35368 2/20 0.35
▸ SCD O00767 1/20 0.35
▸ MLYCD O95822 1/20 0.34
▸ OPRM1 P35372 1/20 0.33
▸ MTOR P42345 1/20 0.33
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ OPRL1 P41146 2/20 0.32
▸ HPGD P15428 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31

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
SCHEMBL12921222 0.92 KDM4E (0.32) KDM4EALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL12921233 0.83 OPRD1 (0.37) OPRD1ADRA1DADRA1AADRA1BSCD
SCHEMBL1186775 0.82 PHGDH (0.37) KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL9273336 0.82 PHGDH (0.37) KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL12209652 0.82 TACR1 (0.33) KDM4EALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL8040918 0.81 KDM4E (0.31) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL12921384 0.81 TACR2 (0.33) OPRD1OPRM1OPRL1
SCHEMBL12921221 0.80 KDM4E (0.36) KDM4EALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL15976786 0.80 OPRD1 (0.33) OPRD1ADRA1DADRA1AADRA1BSCD
SCHEMBL12921387 0.80 TRPV3 (0.32) —

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-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
WO-2009050248-A1 SUBSTITUTED PIPERIDINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 — — WO 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 OPRD1 1454/4885ADRA1D 2609/4885ADRA1A 3253/4885

“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.

Send feedback