SCHEMBL974247

SCHEMBL974247

Cn1nc(C2CCN(C(=O)O)CC2)cc1-c1ccco1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 2/20 0.44
HTR2A P28223 1/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
CACNA1B Q00975 1/20 0.43
APBA1 Q02410 1/20 0.43
PTPN7 P35236 2/20 0.41
DUSP3 P51452 1/20 0.41
TDP1 Q9NUW8 4/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
HPGD P15428 2/20 0.40
USP2 O75604 1/20 0.40
DNMT1 P26358 1/20 0.40
KDM4E B2RXH2 3/20 0.39
SCD O00767 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.37
KDR P35968 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL556594 0.85 GPR119 (0.51) KDM4EABCG2MAPT
SCHEMBL15208260 0.82 CACNA1B (0.43) SCD5HTR2ARAB9ANPC1CACNA1B
SCHEMBL187754 0.79 PLAT (0.38) HTR2ARAB9ANPC1TDP1L3MBTL1
SCHEMBL207578 0.79 ABCB1 (0.37) SCD5HTR2ARAB9ANPC1CACNA1B
SCHEMBL14956003 0.72 TDP1 (0.60) HTR2ACACNA1BAPBA1TDP1L3MBTL1
SCHEMBL2029498 0.70 TSHR (0.57) SCD5ALDH1A1
SCHEMBL892788 0.68 HTR2A (0.50) HTR2ARAB9ANPC1CACNA1BAPBA1
SCHEMBL557797 0.68 GPR119 (0.51) KDM4EABCG2MAPT
SCHEMBL14458151 0.67 ABCB1 (0.50) RAB9ANPC1TDP1L3MBTL1HPGD
SCHEMBL2636913 0.67 HSD11B1 (0.53) RAB9ANPC1KDM4EALDH1A1MAPT

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 SCD5 3063/4885HTR2A 2741/4885RAB9A 3176/4885

“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.