SCHEMBL29604384

SCHEMBL29604384

CCCCOc1ccc(C[C@@H](CCCC)n2cnc3cnc4ccccc4c32)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 1/20 0.41
ITGA4 P13612 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
TSHR P16473 2/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPT P10636 3/20 0.40
HPGD P15428 3/20 0.40
ALDH1A1 P00352 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 1/20 0.40
CYP1A2 P05177 3/20 0.39
CYP2C19 P33261 3/20 0.39
CYP2C9 P11712 2/20 0.39
GAA P10253 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 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
SCHEMBL22774125 0.90 USP5 (0.36) TSHRLMNATLR7
SCHEMBL22734471 0.89 ITGB1 (0.39) ITGB1ITGA4SMN1; SMN2TSHRHTT
SCHEMBL22734470 0.89 ITGB1 (0.39) ITGB1ITGA4SMN1; SMN2TSHRHTT
SCHEMBL22774320 0.88 TLR7 (0.38) ITGB1ITGA4TSHRLMNATLR7
SCHEMBL22734400 0.86 ITGB1 (0.41) ITGB1ITGA4SMN1; SMN2TSHRHTT
SCHEMBL22734412 0.86 ITGB1 (0.41) ITGB1ITGA4SMN1; SMN2TSHRHTT
SCHEMBL22734402 0.86 ITGB1 (0.41) ITGB1ITGA4SMN1; SMN2TSHRHTT
SCHEMBL22734444 0.86 ITGB1 (0.41) ITGB1ITGA4SMN1; SMN2TSHRHTT
SCHEMBL22734446 0.86 ITGB1 (0.41) ITGB1ITGA4SMN1; SMN2TSHRHTT
SCHEMBL22734411 0.86 ITGB1 (0.41) ITGB1ITGA4SMN1; SMN2TSHRHTT

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-20220194935-A1 PHENETHYL SUBSTITUTED IMIDAZO[4,5-C]QUINOLINE COMPOUNDS WITH AN N-1 BRANCHED GROUP SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2022-06-23 US disclosed
EP-3983408-A1 PHENETHYL SUBSTITUTED IMIDAZO[4,5-C]QUINOLINE COMPOUNDS WITH AN N-1 BRANCHED GROUP 3M Innovative Properties Company (US) 2022-04-20 EP 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-20220194935-A1 PHENETHYL SUBSTITUTED IMIDAZO[4,5-C]QUINOLINE COMPOUNDS WITH AN N-1 BRANCHED GROUP IFNG, IFNAR1, IRF3 ITGB1 3162/4885ITGA4 3015/4885SMN1; SMN2 3447/4885

“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.