SCHEMBL24312170

SCHEMBL24312170

CC(C)c1c(N2CCC2)ccn(C)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 6/20 0.40
LIPG Q9Y5X9 2/20 0.37
BRPF1 P55201 3/20 0.33
BRD9 Q9H8M2 2/20 0.33
MCHR1 Q99705 1/20 0.33
KDM5B Q9UGL1 2/20 0.32
LMNA P02545 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ALDH1A1 P00352 1/20 0.32
EGFR P00533 1/20 0.32
RAF1 P04049 1/20 0.32
MAPT P10636 1/20 0.32
ALOX12 P18054 1/20 0.32
MAPK1 P28482 1/20 0.32
MAP2K1 Q02750 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
BRD4 O60885 2/20 0.31
TAF1 P21675 1/20 0.31
CREBBP Q92793 1/20 0.31
CECR2 Q9BXF3 1/20 0.31

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
SCHEMBL22016206 0.72 BRPF1 (0.34) GRM2BRPF1KDM5BLMNAADORA3
SCHEMBL18651544 0.71 LMNA (0.41) BRPF1BRD9KDM5BLMNAADORA3
SCHEMBL25718784 0.71 LMNA (0.37) BRPF1BRD9KDM5BLMNAADORA3
SCHEMBL24376287 0.69 KDM4E (0.38) BRPF1BRD9LMNAADORA3ALDH1A1
SCHEMBL22017365 0.67 LMNA (0.53) BRPF1BRD9LMNAADORA3ALDH1A1
SCHEMBL26815264 0.67 LMNA (0.34) BRPF1BRD9KDM5BLMNAADORA3
SCHEMBL26141107 0.64 MAPK1 (0.39) GRM2LIPGLMNAALDH1A1EGFR
SCHEMBL19078681 0.62 PTPN1 (0.40) ALDH1A1EGFRRAF1MAPTALOX12
SCHEMBL31244835 0.62 POLB (0.55) ALDH1A1
SCHEMBL2608433 0.60 NPC1 (0.50) LMNAALDH1A1MAPTL3MBTL1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS GILEAD SCIENCES, INC. 2022-04-21 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 (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-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS ITGB7, ITGB1, ITGA2B GRM2 3291/4885LIPG 2456/4885BRPF1 2879/4885

“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.