SCHEMBL8056390

SCHEMBL8056390

CC(C)[C@H](CO)Nc1nc(N2CCC(c3ccc4ccccc4c3)CC2)nc2c1[S+]([O-])CC2

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.33
▸ TPH1 P17752 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ CCR1 P32246 1/20 0.32
▸ SOS1 Q07889 1/20 0.31
▸ GAA P10253 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ C5AR1 P21730 1/20 0.30

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
SCHEMBL12921221 0.91 KDM4E (0.36) KDM4EALDH1A1LMNASMN1; SMN2GAA
SCHEMBL12921209 0.89 SOS1 (0.37) SOS1C5AR1
SCHEMBL8053421 0.89 DRD2 (0.36) DRD2
SCHEMBL12921203 0.88 ALDH1A1 (0.32) KDM4EALDH1A1LMNASMN1; SMN2CCR1
SCHEMBL8060129 0.88 CDK1 (0.36) DRD2KDM4EALDH1A1MAPTKMT2A
SCHEMBL8055479 0.88 CCNE2 (0.35) DRD2ALDH1A1LMNASMN1; SMN2GAA
SCHEMBL187793 0.87 CCR1 (0.34) DRD2CCR1
SCHEMBL7708685 0.87 CCR1 (0.34) DRD2CCR1
SCHEMBL373806 0.86 TP53 (0.32) KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL8058982 0.86 DRD3 (0.37) DRD2

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 9 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-2215092-B1 SUBSTITUTED PIPERIDINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INT (DE) 2012-01-25 — — 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
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 DRD2 1834/4885SLC6A4 2666/4885HRH3 110/4885

“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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