SCHEMBL31178364

SCHEMBL31178364

COc1ccc(C(=O)N2CCN(CCC3CCCCC3)CC2)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.62
▸ MEN1 O00255 1/20 0.58
▸ ALDH1A1 P00352 5/20 0.57
▸ POLB P06746 1/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ KDM4E B2RXH2 5/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ DRD3 P35462 1/20 0.55
▸ GAA P10253 2/20 0.54
▸ MAPT P10636 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ HPGD P15428 2/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ LMNA P02545 3/20 0.53
▸ HSD17B10 Q99714 1/20 0.52
▸ TP53 P04637 1/20 0.52
▸ HTT P42858 1/20 0.52

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
SCHEMBL31178357 1.00 KMT2A (0.62) KMT2AMEN1ALDH1A1POLBCYP2C19
SCHEMBL25732834 1.00 KMT2A (0.62) KMT2AMEN1ALDH1A1POLBCYP2C19
SCHEMBL25240734 0.87 NPSR1 (0.61) KMT2AALDH1A1POLBCYP2C19SMN1; SMN2
SCHEMBL25732839 0.85 DRD3 (0.64) POLBDRD3GAAHPGD
SCHEMBL9671229 0.81 KMT2A (0.70) KMT2AMEN1ALDH1A1POLBCYP2C19
SCHEMBL18753660 0.79 HTR4 (0.50) KMT2AALDH1A1POLBCYP2C19HPGD
SCHEMBL29944081 0.79 HPGD (0.76) KMT2AALDH1A1POLBCYP2C19SMN1; SMN2
SCHEMBL25238971 0.78 HPGD (0.64) KMT2AALDH1A1KDM4ESMN1; SMN2DRD3
SCHEMBL25239794 0.78 CHRM3 (0.64) KMT2AMEN1ALDH1A1POLBKDM4E
SCHEMBL16134867 0.77 POLB (0.70) KMT2AALDH1A1POLBCYP2C19KDM4E

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 2 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 disclosed
EP-4452941-A1 ACTIVE INGREDIENTS WITH SIALAGOGUE AND TINGLING/FIZZY EFFECT, AND PREPARATIONS CONTAINING SAME Symrise AG (DE) 2024-10-30 — — EP 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 714/4885ALDH1A1 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.

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