SCHEMBL29656078

SCHEMBL29656078

CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)[C@@H](C)O)C(C)C

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 2/20 0.59
▸ KDM1A O60341 3/20 0.57
▸ MC4R P32245 1/20 0.56
▸ MAOB P27338 1/20 0.56
▸ KDM5A P29375 1/20 0.56
▸ KDM1B Q8NB78 1/20 0.56
▸ CALCR P30988 3/20 0.55
▸ NPY2R P49146 7/20 0.55
▸ NPY4R P50391 7/20 0.55
▸ NPY5R Q15761 7/20 0.55
▸ NPY1R P25929 5/20 0.55
▸ APLNR P35414 1/20 0.54
▸ CRHR1 P34998 1/20 0.54
▸ CRHR2 Q13324 1/20 0.54

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
SCHEMBL29655924 0.89 C5AR1 (0.59) C5AR1CALCRNPY2RNPY4RNPY5R
SCHEMBL29588650 0.88 MC4R (0.64) MC4RCALCRNPY2RNPY4RNPY5R
SCHEMBL29860218 0.88 MC4R (0.64) MC4RCALCRNPY2RNPY4RNPY5R
SCHEMBL30763301 0.88 CALCR (0.70) MC4RCALCRNPY2RNPY4RNPY5R
SCHEMBL29903323 0.87 APLNR (0.58) C5AR1CALCRNPY2RNPY4RNPY5R
SCHEMBL30433090 0.87 CALCR (0.64) C5AR1CALCRNPY2RNPY4RNPY5R
SCHEMBL29707431 0.87 MC4R (0.62) C5AR1KDM1AMC4RMAOBKDM5A
SCHEMBL29607011 0.87 APLNR (0.58) C5AR1MC4RCALCRAPLNR
SCHEMBL31307221 0.87 C5AR1 (0.57) C5AR1CALCRNPY2RNPY4RNPY5R
SCHEMBL31307222 0.87 C5AR1 (0.56) C5AR1KDM1ACALCRNPY2RNPY4R

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-11344548-B2 Analogs of 3,5-dihydroxypentanoate for bone formation KAOHSIUNG MEDICAL UNIVERSITY (TW) 2022-05-31 — — US claimed
US-11344548-B2 Analogs of 3,5-dihydroxypentanoate for bone formation KAOHSIUNG MEDICAL UNIVERSITY (TW) 2022-05-31 — — 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-11344548-B2 Analogs of 3,5-dihydroxypentanoate for bone formation CYP24A1, CYP27B1, CYP2R1 C5AR1 802/4885KDM1A 3819/4885MC4R 461/4885

“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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