SCHEMBL5046612

SCHEMBL5046612

CN(C)CC[CH]c1cccc(CC(=O)N2CCC(c3cccc(F)c3)=N2)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.37
ORAI1 Q96D31 3/20 0.35
OPRD1 P41143 2/20 0.35
OPRK1 P41145 2/20 0.35
BCL2A1 Q16548 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
PGR P06401 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
HCRTR1 O43613 2/20 0.34
MAOB P27338 1/20 0.34
MET P08581 1/20 0.33
KMT2A Q03164 1/20 0.33
LTB4R Q15722 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL5046797 0.92 MAOB (0.40) ORAI1OPRD1OPRK1SMN1; SMN2ALDH1A1
SCHEMBL5046577 0.87 KIF11 (0.40) METKMT2A
SCHEMBL5046596 0.83 MET (0.45) GRM5ALDH1A1HPGDRAB9AMAOB
SCHEMBL5050486 0.80 MET (0.51) ORAI1OPRD1OPRK1ALDH1A1MET
SCHEMBL17004388 0.76 GRM5 (0.39) GRM5SMN1; SMN2ALDH1A1HPGDRAB9A
SCHEMBL17004377 0.76 MET (0.44) GRM5SMN1; SMN2ALDH1A1RAB9AHCRTR1
SCHEMBL17004402 0.76 ORAI1 (0.49) GRM5ORAI1OPRK1SMN1; SMN2ALDH1A1
SCHEMBL5050458 0.75 MET (0.46) MAOBMET
SCHEMBL14484340 0.74 MAOB (0.60) SMN1; SMN2ALDH1A1HPGDRAB9AMAOB
SCHEMBL980138 0.73 HCRTR1 (0.35) BCL2A1SMN1; SMN2ALDH1A1HPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080249095-A1 1-Acyldihydropyrazole Derivatives MERCK PATENT GESELLSCHAFT (DE) 2008-10-09 US claimed

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-20080249095-A1 1-Acyldihydropyrazole Derivatives MET, FLT3, ERBB3 GRM5 2622/4885ORAI1 4824/4885OPRD1 1946/4885

“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.