SCHEMBL26897330

SCHEMBL26897330

CN([C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)C(C)(C)C)C(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ MME P08473 5/20 0.46
▸ ACE P12821 4/20 0.46
▸ ACE2 Q9BYF1 3/20 0.46
▸ CPA1 P15085 2/20 0.42
▸ SRR Q9GZT4 2/20 0.42
▸ PSAT1 Q9Y617 2/20 0.42
▸ ADAMTS5 Q9UNA0 1/20 0.41
▸ FFAR1 O14842 1/20 0.41
▸ PPARG P37231 6/20 0.41
▸ PPARA Q07869 5/20 0.41
▸ ABCC4 O15439 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ PTGS1 P23219 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.40

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
SCHEMBL20849755 0.91 MAPT (0.46) ALDH1A1MAPTADAMTS5PTGS1
SCHEMBL20849762 0.91 MAPT (0.46) ALDH1A1MAPTADAMTS5PTGS1
SCHEMBL1706858 0.84 ESR1 (0.42) MAPTGAATAAR1
SCHEMBL20849763 0.82 RIPK1 (0.42) MMEACECPA1GAAHTT
SCHEMBL1707342 0.82 MAOB (0.55) FFAR1PPARGPPARAPTGS1
SCHEMBL22872309 0.79 CYP1A2 (0.48) ALDH1A1MAPTCPA1SRRADAMTS5
SCHEMBL8910360 0.79 MAPT (0.55) ALDH1A1MAPTGAAPTGS1HTT
SCHEMBL14519751 0.79 MAPT (0.55) ALDH1A1MAPTGAAPTGS1HTT
SCHEMBL10197473 0.75 ALDH1A1 (0.68) ALDH1A1MAPTMMEACEACE2
SCHEMBL15085660 0.75 ALDH1A1 (0.49) ALDH1A1MAPTMMEACEACE2

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-20230382949-A1 LINEAR APELIN RECEPTOR AGONISTS HEPTARES THERAPEUTICS LIMITED (GB) 2023-11-30 — — US disclosed
US-20230382949-A1 LINEAR APELIN RECEPTOR AGONISTS HEPTARES THERAPEUTICS LIMITED (GB) 2023-11-30 — — 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-20230382949-A1 LINEAR APELIN RECEPTOR AGONISTS APLNR, MTNR1A, EDNRA ALDH1A1 2876/4885MAPT 4403/4885MME 1551/4885

“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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