SCHEMBL4299855

SCHEMBL4299855

O=C(c1cc[c]cc1)N(c1ccccc1)N1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.42
OPRD1 P41143 8/20 0.40
ALDH1A1 P00352 3/20 0.38
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
OPRM1 P35372 3/20 0.38
OPRK1 P41145 2/20 0.36
POLB P06746 2/20 0.35
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
ADRB1 P08588 1/20 0.33
HTR3A P46098 1/20 0.33
HTR3D Q70Z44 1/20 0.33
HTR3C Q8WXA8 1/20 0.33
REN P00797 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM3 P20309 1/20 0.33

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
SCHEMBL379431 0.90 SIGMAR1 (0.51) SIGMAR1OPRD1ALDH1A1USP2TSHR
SCHEMBL4537418 0.87 ALDH1A1 (0.39) OPRD1ALDH1A1USP2TSHRHSD17B10
SCHEMBL4292571 0.86 ALDH1A1 (0.39) OPRD1ALDH1A1USP2POLBCHRM2
SCHEMBL4299853 0.80 SIGMAR1 (0.38) SIGMAR1OPRD1ALDH1A1USP2TSHR
SCHEMBL5717885 0.76 SIGMAR1 (0.45) SIGMAR1OPRD1ALDH1A1USP2TSHR
SCHEMBL8325473 0.76 FFAR1 (0.44) SIGMAR1OPRD1ALDH1A1USP2TSHR
Hydrochloric Acid SCHEMBL5849112 0.75 SIGMAR1 (0.44) SIGMAR1OPRD1ALDH1A1USP2TSHR
SCHEMBL6404717 0.73 BACE1 (0.47) SIGMAR1OPRD1ALDH1A1TSHRHSD17B10
SCHEMBL17295878 0.72 OPRD1 (0.43) SIGMAR1OPRD1ALDH1A1USP2TSHR
SCHEMBL15273036 0.72 SIGMAR1 (0.41) SIGMAR1OPRD1ALDH1A1USP2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090286779-A1 PYRAZOLOPYRIMIDINES AS LIPID KINASE INHIBITORS NOVARTIS AG 2009-11-19 US disclosed
EP-2081933-A1 PYRAZOLOPYRIMIDINES AS P13K LIPID KINASE INHIBITORS Novartis Ag (CH) 2009-07-29 EP disclosed
WO-2008037477-A1 PYRAZOLOPYRIMIDINES AS P13K LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2008-04-03 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-20090286779-A1 PYRAZOLOPYRIMIDINES AS LIPID KINASE INHIBITORS ATR, ATM, CHEK1 SIGMAR1 4376/4885OPRD1 4587/4885ALDH1A1 4053/4885

“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.