SCHEMBL22358352

SCHEMBL22358352

CC(C)C(=O)N1CCC(CNC(=O)c2ccc3cnn(C4COC4)c3c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 3/20 0.47
▸ HTR1A P08908 1/20 0.41
▸ HTR1B P28222 1/20 0.41
▸ HTR1F P30939 1/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ SMYD3 Q9H7B4 4/20 0.40
▸ BCHE P06276 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ ROCK2 O75116 3/20 0.39
▸ ACSS2 Q9NR19 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ ROCK1 Q13464 1/20 0.38
▸ MAPK14 Q16539 3/20 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
SCHEMBL22358408 0.86 KHK (0.44) HTR1AHTR1BHTR1FHDAC4MAPK14
SCHEMBL22358418 0.85 KDM4E (0.57) NAMPTKDM4EPKM
SCHEMBL21611280 0.76 SMN1; SMN2 (0.55) KDM4E
SCHEMBL20116305 0.73 USP7 (0.41) KDM4E
SCHEMBL20676536 0.73 PIK3CD (0.37) HTR1AHTR1BHTR1F
SCHEMBL29491524 0.72 KHK (0.43) HTR1AHTR1BHTR1FKDM4E
SCHEMBL24339264 0.71 HTR1A (0.43) HTR1AHTR1BHTR1FKDM4E
SCHEMBL30174436 0.71 HTR1A (0.43) HTR1AHTR1BHTR1FKDM4E
SCHEMBL22358112 0.71 HDAC4 (0.54) HDAC4
SCHEMBL26997918 0.70 IRAK4 (0.39) —

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-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 — — US disclosed
US-20200262828-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2020-08-20 — — 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 (2 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-11873298-B2 Compounds and uses thereof NLN, ACHE, CLN6 NAMPT 473/4885HTR1A 1530/4885HTR1B 1047/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 NAMPT 473/4885HTR1A 1530/4885HTR1B 1047/4885

“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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