SCHEMBL8043309

SCHEMBL8043309

CN(C)CC(=O)NCC1(c2ccccc2)CCNCC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
TP53 P04637 3/20 0.53
GAA P10253 1/20 0.53
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
HSD17B10 Q99714 1/20 0.49
LMNA P02545 6/20 0.47
L3MBTL1 Q9Y468 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MAPK1 P28482 2/20 0.44
KCNA3 P22001 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
CNR1 P21554 1/20 0.43
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL8052285 0.85 MEN1 (0.52) ALDH1A1TP53GAAMEN1KMT2A
SCHEMBL373329 0.82 LMNA (0.52) ALDH1A1TP53MEN1KMT2AHSD17B10
SCHEMBL5568764 0.82 LMNA (0.55) ALDH1A1TP53MEN1KMT2AHSD17B10
SCHEMBL186987 0.82 MEN1 (0.49) ALDH1A1TP53GAAMEN1KMT2A
Hydrochloric Acid SCHEMBL7801197 0.81 LMNA (0.51) ALDH1A1TP53GAAMEN1KMT2A
SCHEMBL7305720 0.81 ALDH1A1 (0.48) ALDH1A1TP53GAAMEN1KMT2A
SCHEMBL15088436 0.81 MEN1 (0.54) ALDH1A1TP53GAAMEN1KMT2A
SCHEMBL3491629 0.78 IRAK4 (0.45)
SCHEMBL3595473 0.75 OPRM1 (0.47) ALDH1A1MEN1KMT2AHSD17B10LMNA
SCHEMBL4814054 0.74 OPRM1 (0.46) ALDH1A1MEN1KMT2AHSD17B10LMNA

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 8 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
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 ALDH1A1 319/4885TP53 255/4885GAA 3355/4885

“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.