SCHEMBL13615983

SCHEMBL13615983

CC(C)C(=O)N1CC[C@H](C)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ DPP4 P27487 6/20 0.50
▸ DPP8 Q6V1X1 3/20 0.50
▸ DPP7 Q9UHL4 2/20 0.50
▸ CHRNB2 P17787 1/20 0.47
▸ CHRNA3 P32297 1/20 0.47
▸ CHRNA4 P43681 1/20 0.47
▸ CHRNB3 Q05901 1/20 0.47
▸ CHRNA6 Q15825 1/20 0.47
▸ NPC1 O15118 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HPGD P15428 2/20 0.41
▸ DPP9 Q86TI2 2/20 0.40
▸ GAA P10253 1/20 0.39
▸ POLB P06746 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ PDE4B Q07343 1/20 0.38
▸ ACHE P22303 1/20 0.38

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
SCHEMBL12449153 1.00 ALDH1A1 (0.55) ALDH1A1MEN1KMT2ADPP4DPP8
SCHEMBL5020025 1.00 ALDH1A1 (0.55) ALDH1A1MEN1KMT2ADPP4DPP8
SCHEMBL13198906 0.88 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ADPP7CHRNB2
SCHEMBL478903 0.88 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ADPP7CHRNB2
SCHEMBL13198912 0.88 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ADPP7CHRNB2
SCHEMBL2606047 0.87 ALDH1A1 (0.70) ALDH1A1MEN1KMT2ACHRNB2CHRNA3
SCHEMBL15203536 0.84 DPP4 (0.55) ALDH1A1MEN1KMT2ADPP4DPP8
SCHEMBL10139548 0.82 CHRNB2 (0.59) ALDH1A1MEN1KMT2ADPP4DPP8
SCHEMBL17516257 0.82 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ADPP4DPP8
SCHEMBL21028179 0.82 CHRNB2 (0.46) ALDH1A1MEN1KMT2ADPP4DPP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11718628-B2 SREBP inhibitors comprising a 6-membered central ring CAPULUS THERAPEUTICS, LLC (US) 2023-08-08 — — US disclosed
US-20170369443-A1 FLUORINATED LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. 2017-12-28 — — US disclosed
US-20170145028-A1 ACC INHIBITORS AND USES THEREOF GILEAD APOLLO, LLC (US) 2017-05-25 — — US disclosed
US-20090275538-A1 ARYLMETHYLIDENE HETEROCYCLES AS NOVEL ANALGESICS UNIVERSITE LAVAL (CA) 2009-11-05 — — 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 (4 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-11718628-B2 SREBP inhibitors comprising a 6-membered central ring SREBF1, SREBF2, XBP1 ALDH1A1 2993/4885MEN1 2834/4885KMT2A 4372/4885
US-20090275538-A1 ARYLMETHYLIDENE HETEROCYCLES AS NOVEL ANALGESICS OPRL1, OPRK1, AHR ALDH1A1 211/4885MEN1 4697/4885KMT2A 1752/4885
US-20170145028-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 ALDH1A1 104/4885MEN1 4200/4885KMT2A 2071/4885
US-20170369443-A1 FLUORINATED LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF LOXL2, LOXL1, LOX ALDH1A1 1095/4885MEN1 4032/4885KMT2A 963/4885

“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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