SCHEMBL24077344

SCHEMBL24077344

CN(C)CCn1nc(N)ccc1=O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 1/20 0.37
▸ HRH1 P35367 1/20 0.37
▸ ADRA1B P35368 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ KDM4E B2RXH2 3/20 0.36
▸ USP2 O75604 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ HTR6 P50406 1/20 0.36
▸ TERT O14746 2/20 0.35
▸ HEXA P06865 1/20 0.34
▸ HEXB P07686 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ FTO Q9C0B1 1/20 0.34
▸ KAT2B Q92831 3/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ SMN1; SMN2 Q16637 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
SCHEMBL24803365 0.81 KDM4E (0.39) ADRA1AHRH1ADRA1BALDH1A1KDM4E
SCHEMBL23202409 0.79 ALDH1A1 (0.40) ADRA1AHRH1ADRA1BALDH1A1KDM4E
SCHEMBL5088814 0.79 ADRA1A (0.43) ADRA1AHRH1ADRA1BALDH1A1KDM4E
SCHEMBL24246976 0.78 ADRA1A (0.36) ADRA1AHRH1ADRA1BALDH1A1KDM4E
SCHEMBL24076322 0.76 MPO (0.40) ALDH1A1KDM4E
SCHEMBL104896 0.76 GAA (0.34) ALDH1A1KDM4EADORA2AADORA1SMN1; SMN2
Hydrochloric Acid SCHEMBL30168555 0.75 MPO (0.39) ALDH1A1KDM4E
SCHEMBL11157346 0.74 KDM4E (0.55) KDM4EUSP2MAPK1
SCHEMBL23479875 0.73 KDM4E (0.48) KDM4EUSP2MAPK1
Hydrochloric Acid SCHEMBL23202459 0.73 KDM4E (0.54) KDM4EUSP2MAPK1

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-20230202989-A1 COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 — — US disclosed
US-20230202989-A1 COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 — — US disclosed
WO-2021239885-A1 COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2021-12-02 — — WO 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-20230202989-A1 COMPOUNDS NLRP3, NLRP1, IL1B ADRA1A 914/4885HRH1 600/4885ADRA1B 811/4885

“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.

Send feedback