SCHEMBL5335779

SCHEMBL5335779

Cc1sccc1N1CCN[C@@H](C)C1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HTR2C P28335 1/20 0.41
MAPT P10636 1/20 0.40
KHK P50053 2/20 0.37
BRPF1 P55201 2/20 0.35
BRD4 O60885 1/20 0.35
BCL2A1 Q16548 2/20 0.35
KIT P10721 1/20 0.34
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
KCNH2 Q12809 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
MAP3K14 Q99558 2/20 0.33
GHSR Q92847 2/20 0.33
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 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
SCHEMBL5335076 1.00 ALDH1A1 (0.43) ALDH1A1LMNAHTR2CMAPTKHK
SCHEMBL336258 0.78 ADRB1 (0.52) LMNAHTR2CMAPT
Hydrochloric Acid SCHEMBL293622 0.74 DRD2 (0.42) ALDH1A1LMNAHTR2CKCNH2
SCHEMBL21268764 0.73 ADRB1 (0.61) ALDH1A1LMNAHTR2CMAPTKHK
SCHEMBL21268746 0.73 ADRB1 (0.61) ALDH1A1LMNAHTR2CMAPTKHK
SCHEMBL21281577 0.73 ADRB1 (0.61) ALDH1A1LMNAHTR2CMAPTKHK
SCHEMBL24123835 0.71 ALDH1A1 (0.49) ALDH1A1LMNAHTR2CMAPTKHK
SCHEMBL12164846 0.71 ADRB1 (0.63) ALDH1A1LMNAHTR2CMAPTKHK
SCHEMBL12164845 0.71 ADRB1 (0.63) ALDH1A1LMNAHTR2CMAPTKHK
SCHEMBL3155632 0.71 NPC1 (0.42) MAPTKITMAPK13MAPK12MAPK11

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-7291619-B2 Melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-11-06 US disclosed
EP-1368340-B1 PIPERAZINE DERIVATIVES AS MELANOCORTIN RECEPTOR AGONISTS LILLY CO ELI (US) 2005-08-10 EP disclosed
US-20040092507-A1 Melanocortin receptor agonists ELI LILLY AND COMPANY 2004-05-13 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-20040092507-A1 Melanocortin receptor agonists MC1R, MC4R, MC5R ALDH1A1 1055/4885LMNA 4634/4885HTR2C 149/4885

“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.