SCHEMBL21392368

SCHEMBL21392368

c1cc2cc(C3CCCN3)ccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
F10 P00742 1/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
IMPDH2 P12268 1/20 0.41
IMPDH1 P20839 1/20 0.41
AHR P35869 3/20 0.41
NR4A2 P43354 2/20 0.41
CYP2A6 P11509 2/20 0.41
F7 P08709 1/20 0.41
LTA4H P09960 1/20 0.41
F3 P13726 1/20 0.41
USP2 O75604 1/20 0.41
GAA P10253 1/20 0.41
ALOX15 P16050 1/20 0.41
RAD51 Q06609 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SLC6A2 P23975 3/20 0.39
SLC6A4 P31645 3/20 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
SCHEMBL24363870 0.77 SLC6A2 (0.40) CHRNB2CHRNA7CHRNA4IMPDH2IMPDH1
SCHEMBL8995188 0.76 AHR (0.46) IMPDH2IMPDH1AHRNR4A2CYP2A6
SCHEMBL18000304 0.75 AHR (0.48) IMPDH2IMPDH1AHRNR4A2CYP2A6
SCHEMBL17529943 0.75 CHRNB2 (0.46) L3MBTL1CHRNB2CHRNA7CHRNA4CYP2A6
SCHEMBL19580684 0.75 L3MBTL1 (0.55) L3MBTL1CHRNB2CHRNA7CHRNA4CYP2A6
SCHEMBL31481180 0.75 L3MBTL1 (0.55) L3MBTL1CHRNB2CHRNA7CHRNA4CYP2A6
SCHEMBL3307955 0.75 NPC1 (0.47) IMPDH2IMPDH1AHRNR4A2CYP2A6
SCHEMBL22342845 0.75 L3MBTL1 (0.55) L3MBTL1CHRNB2CHRNA7CHRNA4CYP2A6
SCHEMBL30241239 0.75 L3MBTL1 (0.51) L3MBTL1CHRNB2CHRNA7CHRNA4CYP2A6
SCHEMBL25973030 0.75 L3MBTL1 (0.55) L3MBTL1CHRNB2CHRNA7CHRNA4CYP2A6

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-20230121302-A1 METHODS OF IRON CATALYZED C-H BOND AMINATION VERSITECH LIMITED (CN) 2023-04-20 US disclosed
WO-2019183472-A1 MELANOCORTIN RECEPTOR-SPECIFIC PEPTIDE FORMULATIONS AND METHODS FOR GASTROINTESTINAL TRACT-SPECIFIC DELIVERY PALATIN TECHNOLOGIES, INC. (US) 2019-09-26 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-20230121302-A1 METHODS OF IRON CATALYZED C-H BOND AMINATION FTH1, FECH, HCCS L3MBTL1 4295/4885F10 716/4885CHRNB2 4674/4885

“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.