SCHEMBL22358408

SCHEMBL22358408

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KHK P50053 4/20 0.44
▸ HTR1A P08908 1/20 0.43
▸ HTR1B P28222 1/20 0.43
▸ HTR1F P30939 1/20 0.43
▸ DRD4 P21917 1/20 0.42
▸ HDAC4 P56524 1/20 0.41
▸ MAPK11 Q15759 1/20 0.41
▸ MAPK14 Q16539 1/20 0.41
▸ CYP2C19 P33261 1/20 0.40
▸ IRAK4 Q9NWZ3 1/20 0.40
▸ RIPK2 O43353 1/20 0.39
▸ MAPK8 P45983 1/20 0.39
▸ MAPK9 P45984 1/20 0.39
▸ MAPK10 P53779 1/20 0.39
▸ HPGDS O60760 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39

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
SCHEMBL22358352 0.86 NAMPT (0.47) HTR1AHTR1BHTR1FHDAC4MAPK14
SCHEMBL22358112 0.84 HDAC4 (0.54) HDAC4RIPK2
SCHEMBL21611280 0.78 SMN1; SMN2 (0.55) TSHRALDH1A1
SCHEMBL20676536 0.77 PIK3CD (0.37) HTR1AHTR1BHTR1FMAPK8MAPK9
SCHEMBL29491524 0.76 KHK (0.43) KHKHTR1AHTR1BHTR1FALDH1A1
SCHEMBL20116305 0.75 USP7 (0.41) TSHRNPC1ALDH1A1RAB9A
SCHEMBL24339264 0.73 HTR1A (0.43) HTR1AHTR1BHTR1FCYP2C19IRAK4
SCHEMBL30174436 0.73 HTR1A (0.43) HTR1AHTR1BHTR1FCYP2C19IRAK4
SCHEMBL20116317 0.72 USP30 (0.44) KHKHTR1AHTR1BHTR1FHDAC4
SCHEMBL20116406 0.72 SMN1; SMN2 (0.48) TSHRALDH1A1

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 KHK 3414/4885HTR1A 1530/4885HTR1B 1047/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 KHK 3414/4885HTR1A 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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