SCHEMBL9512949

SCHEMBL9512949

COc1ccc(C(=O)N2CCN(CCc3ccccc3)CC2)cc1OC

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.83
MEN1 O00255 2/20 0.83
GAA P10253 2/20 0.69
POLB P06746 2/20 0.69
TLR9 Q9NR96 1/20 0.66
TLR8 Q9NR97 1/20 0.66
TLR7 Q9NYK1 1/20 0.66
KCNH2 Q12809 1/20 0.66
ALDH1A1 P00352 4/20 0.64
KDM4E B2RXH2 3/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
MAPT P10636 1/20 0.62
TSHR P16473 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
EBP Q15125 2/20 0.61
SIGMAR1 Q99720 2/20 0.61
TMEM97 Q5BJF2 1/20 0.61
CYP2C19 P33261 1/20 0.59
MAPK1 P28482 1/20 0.59
DRD3 P35462 1/20 0.57

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
SCHEMBL31178415 1.00 KMT2A (0.83) KMT2AMEN1GAAPOLBTLR9
SCHEMBL31178346 0.96 KMT2A (0.77) KMT2AMEN1GAAPOLBTLR9
SCHEMBL25242104 0.96 KMT2A (0.77) KMT2AMEN1GAAPOLBTLR9
SCHEMBL31178374 0.93 KMT2A (0.96) KMT2AMEN1GAAPOLBTLR9
SCHEMBL25286763 0.93 KMT2A (0.96) KMT2AMEN1GAAPOLBTLR9
SCHEMBL25237358 0.92 KMT2A (0.90) KMT2AMEN1GAAPOLBTLR9
SCHEMBL31178332 0.92 KMT2A (0.90) KMT2AMEN1GAAPOLBTLR9
SCHEMBL9513195 0.89 DRD2 (0.69) KMT2AMEN1GAAPOLBALDH1A1
SCHEMBL9514285 0.88 KMT2A (0.67) KMT2AMEN1GAAPOLBALDH1A1
SCHEMBL9513235 0.88 KMT2A (0.67) KMT2AMEN1GAAPOLBALDH1A1

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
EP-0250361-B1 Disubstituted piperazines CIBA GEIGY AG (CH) 1993-12-08 EP claimed
US-20250066320-A1 Active Ingredients with Sialagogue and Tingling/Fizzy Effect, and Preparations Containing Same SYMRISE AG (DE) 2025-02-27 US disclosed
EP-4452941-A1 ACTIVE INGREDIENTS WITH SIALAGOGUE AND TINGLING/FIZZY EFFECT, AND PREPARATIONS CONTAINING SAME Symrise AG (DE) 2024-10-30 EP disclosed
WO-2023117119-A1 ACTIVE INGREDIENTS WITH SIALAGOGUE AND TINGLING/FIZZY EFFECT, AND PREPARATIONS CONTAINING SAME SYMRISE AG (DE) 2023-06-29 WO disclosed
WO-2023117119-A1 ACTIVE INGREDIENTS WITH SIALAGOGUE AND TINGLING/FIZZY EFFECT, AND PREPARATIONS CONTAINING SAME SYMRISE AG (DE) 2023-06-29 WO disclosed
US-4804661-A ANALGESICS CIBA-GEIGY CORPORATION (US) 1989-02-14 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-20250066320-A1 Active Ingredients with Sialagogue and Tingling/Fizzy Effect, and Preparations Containing Same TAS2R5, TAS2R7, TAS2R8 KMT2A 2748/4885MEN1 714/4885GAA 88/4885

“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.