SCHEMBL22357755

SCHEMBL22357755

CC(=O)NCCc1nn(C(C)C)c2cc(C(C)(C)C)ccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 6/20 0.37
▸ MTNR1B P49286 5/20 0.37
▸ MAPK8 P45983 1/20 0.37
▸ NLRP3 Q96P20 2/20 0.35
▸ NQO2 P16083 2/20 0.33
▸ ESRRG P62508 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CNR1 P21554 1/20 0.33

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
SCHEMBL20117066 0.85 MTNR1A (0.43) MTNR1AMTNR1BMAPK8NLRP3NQO2
SCHEMBL26997338 0.80 LMNA (0.36) NLRP3LMNAMAPTL3MBTL1
SCHEMBL22357752 0.80 HTR1D (0.40) NLRP3KDM4ELMNACNR2
SCHEMBL22357753 0.79 HTR1D (0.43) NLRP3
SCHEMBL22357756 0.79 PDE2A (0.40) NLRP3ALDH1A1HPGDHSD17B10POLB
SCHEMBL26997341 0.78 TMEM97 (0.34) NLRP3POLB
SCHEMBL12184914 0.66 ESRRG (0.67) ESRRGNPC1RAB9AKDM4EALDH1A1
SCHEMBL3604215 0.65 SLC22A12 (0.44) NLRP3ALDH1A1MAPTHPGDPOLB
SCHEMBL28018803 0.65 KDM4E (0.41) NLRP3NPC1RAB9AKDM4EALDH1A1
SCHEMBL12993427 0.64 KDM4E (0.54) MTNR1AMTNR1BESRRGNPC1RAB9A

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 3 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-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 MTNR1A 258/4885MTNR1B 154/4885MAPK8 4173/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 MTNR1A 258/4885MTNR1B 154/4885MAPK8 4173/4885

“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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