SCHEMBL25284831

SCHEMBL25284831

CCOc1ccc(C(=O)N2CCCN(CCc3ccccc3)CC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.71
▸ MAPK1 P28482 1/20 0.71
▸ ALDH1A1 P00352 1/20 0.69
▸ HSD17B10 Q99714 1/20 0.69
▸ MEN1 O00255 1/20 0.65
▸ KMT2A Q03164 1/20 0.65
▸ KCNH2 Q12809 1/20 0.65
▸ KDM4E B2RXH2 2/20 0.65
▸ LMNA P02545 2/20 0.65
▸ SMN1; SMN2 Q16637 2/20 0.65
▸ HPGD P15428 2/20 0.63
▸ L3MBTL1 Q9Y468 1/20 0.63
▸ THRB P10828 1/20 0.61
▸ KCNA5 P22460 4/20 0.57
▸ DRD3 P35462 2/20 0.57
▸ DRD2 P14416 1/20 0.57
▸ SIGMAR1 Q99720 2/20 0.57
▸ ADORA3 P0DMS8 1/20 0.57
▸ HTR2A P28223 1/20 0.57
▸ HTR7 P34969 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
SCHEMBL25239004 0.95 PKM (0.78) PKMMAPK1ALDH1A1HSD17B10MEN1
SCHEMBL25279889 0.89 PKM (0.74) PKMMAPK1ALDH1A1HSD17B10MEN1
SCHEMBL25244878 0.89 DRD2 (0.69) ALDH1A1MEN1KMT2AKCNH2LMNA
SCHEMBL25241368 0.88 SIGMAR1 (0.73) PKMMAPK1ALDH1A1HSD17B10MEN1
SCHEMBL31178349 0.86 ALOX15 (0.63) PKMMAPK1ALDH1A1HSD17B10MEN1
SCHEMBL25239701 0.86 ALOX15 (0.63) PKMMAPK1ALDH1A1HSD17B10MEN1
SCHEMBL25238918 0.86 MEN1 (0.89) ALDH1A1MEN1KMT2AKCNH2KDM4E
SCHEMBL25284686 0.83 DRD2 (0.75) ALDH1A1MEN1KMT2AKCNH2LMNA
SCHEMBL25238125 0.83 PKM (1.00) PKMMAPK1ALDH1A1HSD17B10MEN1
SCHEMBL25732877 0.81 ALOX15 (0.68) PKMMAPK1HSD17B10MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250066320-A1 Active Ingredients with Sialagogue and Tingling/Fizzy Effect, and Preparations Containing Same SYMRISE AG (DE) 2025-02-27 — — US 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

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 PKM 4487/4885MAPK1 3379/4885ALDH1A1 2893/4885

“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.

Send feedback