SCHEMBL4751545

SCHEMBL4751545

CC1(C)OB(c2cccc(CCN)c2)OC1(C)C

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 9/20 0.68
LPL P06858 8/20 0.68
TAAR1 Q96RJ0 7/20 0.47
DRD2 P14416 1/20 0.43
DRD1 P21728 1/20 0.43
F11 P03951 1/20 0.41
NOS1 P29475 1/20 0.41
HTR7 P34969 1/20 0.40
HTR2C P28335 1/20 0.39
HTR6 P50406 1/20 0.39

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
SCHEMBL1331631 0.87 LIPG (0.63) LIPGLPLF11NOS1
Hydrochloric Acid SCHEMBL1631610 0.85 LIPG (0.61) LIPGLPLF11NOS1
SCHEMBL30477495 0.85 LIPG (0.80) LIPGLPLF11
SCHEMBL23071684 0.85 LIPG (0.70) LIPGLPLF11
SCHEMBL12215735 0.85 LIPG (0.80) LIPGLPLF11
SCHEMBL4315178 0.84 LIPG (0.68) LIPGLPLF11
SCHEMBL29478527 0.84 LIPG (0.68) LIPGLPLF11
SCHEMBL25813029 0.84 LIPG (0.68) LIPGLPLF11
SCHEMBL14750160 0.83 LIPG (0.91) LIPGLPLF11
SCHEMBL24837499 0.83 LIPG (0.67) LIPGLPLF11

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
WO-2018072697-A1 OXADIAZOLE RING-CONTAINING COMPOUND, PREPARATION METHOD THEREFOR, AND INTERMEDIATE, COMPOSITE, AND APPLICATION THEREOF 上海医药集团股份有限公司 2018-04-26 WO disclosed
US-20080318929-A1 Pyrimidine Derivatives Useful as Inhibitors of Pkc-Theta BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-25 US disclosed
US-20080318929-A1 Pyrimidine Derivatives Useful as Inhibitors of Pkc-Theta BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-25 US disclosed
US-20080318929-A1 Pyrimidine Derivatives Useful as Inhibitors of Pkc-Theta BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-25 US disclosed
EP-1966163-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA Boehringer Ingelheim International GmbH (DE) 2008-09-10 EP disclosed
WO-2007076247-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-07-05 WO disclosed
WO-2007076247-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-07-05 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-20080318929-A1 Pyrimidine Derivatives Useful as Inhibitors of Pkc-Theta PRKCQ, PRKCZ, PRKAR2B LIPG 2370/4885LPL 3856/4885TAAR1 2892/4885

“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.