SCHEMBL5334825

SCHEMBL5334825

CC1(C(=O)O)Cc2ccccc2CN1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
LMNA P02545 1/20 0.38
BLM P54132 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
GAA P10253 1/20 0.37
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
Hydrochloric Acid SCHEMBL2084296 0.98 ALDH1A1 (0.42) ALDH1A1MAPTLMNABLMHDAC9
SCHEMBL9679498 0.76 CES2 (0.44) ALDH1A1MAPTLMNAGAAPOLB
SCHEMBL6773172 0.75 BRD4 (0.42) ALDH1A1MAPTGAAPOLB
SCHEMBL5837737 0.75 BRD4 (0.42) ALDH1A1MAPTGAAPOLB
SCHEMBL3733923 0.75 HDAC9 (0.38) MAPTHDAC9GAA
SCHEMBL1786936 0.72 HDAC9 (0.44) LMNAHDAC9POLBL3MBTL1
SCHEMBL1011335 0.72 ALDH1A1 (0.52) ALDH1A1MAPTGAA
SCHEMBL29789782 0.72 ALDH1A1 (0.52) ALDH1A1MAPTGAA
SCHEMBL9681676 0.72 PDE4A (0.47) ALDH1A1MAPTGAAL3MBTL1TSHR
SCHEMBL10886045 0.72 RAB9A (0.34) GAA

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 6 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
US-7169777-B2 Melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-01-30 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
US-6548667-B2 For prevention and treatment of diseases caused by overexpression and overactivation of matrix metalloproteinase SAMSUNG ELECTRONICS CO. LTD. (KR) 2003-04-15 US disclosed
US-20020169314-A1 Sulfonamide derivative as a matrix metalloproteinase inhibitor SAMSUNG ELECTRONICS CO. LTD. (KR) 2002-11-14 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 (2 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 1055/4885MAPT 2356/4885LMNA 4634/4885
US-20020169314-A1 Sulfonamide derivative as a matrix metalloproteinase inhibitor MMP9, MMP3, MMP14 ALDH1A1 311/4885MAPT 4046/4885LMNA 1839/4885

“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.