SCHEMBL8312600

SCHEMBL8312600

O=C(O)C1CCN(c2ccc3c(c2)OCO3)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 5/20 0.49
NPSR1 Q6W5P4 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
TSHR P16473 3/20 0.48
HSD17B10 Q99714 2/20 0.48
KMT2A Q03164 2/20 0.48
GRK2 P25098 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
GFER P55789 1/20 0.48
CMA1 P23946 1/20 0.47
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
ALDH1A1 P00352 2/20 0.47
USP2 O75604 1/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL7408420 0.92 NOTUM (0.60) NOTUMKMT2AGRK2CTDSP1
SCHEMBL13722497 0.83 NPC1 (0.60) NPSR1RXFP1TSHRHSD17B10KMT2A
SCHEMBL25367264 0.79 TSHR (0.60) NPSR1TSHRHSD17B10KMT2AGFER
SCHEMBL6393391 0.78 CMA1 (0.49) TSHRHSD17B10KMT2ACMA1ALDH1A1
SCHEMBL6971489 0.77 ALDH1A1 (0.69) TSHRHSD17B10KMT2AGFERALDH1A1
SCHEMBL24434520 0.76 CMA1 (0.56) TSHRHSD17B10KMT2AGFERCMA1
SCHEMBL17541495 0.75 OGA (0.60) HPGD
SCHEMBL21685773 0.75 PDK2 (0.42) NOTUMPDK2
SCHEMBL20722680 0.75 PDK2 (0.42) NOTUMPDK2
SCHEMBL15979567 0.75 MAPT (0.67) TSHRHSD17B10KMT2AGFERALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8314113-B2 Substituted dihydroquinazolines II AICURIS GMBH & CO. KG (DE) 2012-11-20 US disclosed
US-8314113-B2 Substituted dihydroquinazolines II AICURIS GMBH & CO. KG (DE) 2012-11-20 US disclosed
EP-1685123-B1 SUBSTITUTED DIHYDROQUINAZOLINES II BAYER HEALTHCARE AG (DE) 2009-08-19 EP disclosed
US-20070281953-A1 Substituted Dihydroquinazolines II BAYER HEALTHCARE AG (DE) 2007-12-06 US disclosed
US-20070281953-A1 Substituted Dihydroquinazolines II BAYER HEALTHCARE AG (DE) 2007-12-06 US disclosed
WO-2005019200-A2 ARYL PIPERIDINE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-03-03 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-20070281953-A1 Substituted Dihydroquinazolines II EIF2AK2, QDPR, IRF3 NOTUM 2453/4885NPSR1 4459/4885RXFP1 4754/4885

“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.