SCHEMBL3628401

SCHEMBL3628401

O=CCc1cccc(-c2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc2)c1

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 18/20 0.70
SLC6A3 Q01959 1/20 0.70
ALDH1A1 P00352 1/20 0.70
TSHR P16473 1/20 0.70
KDM4E B2RXH2 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.57

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
SCHEMBL14182187 0.85 SLC6A7 (0.72) SLC6A7SLC6A3ALDH1A1TSHRKDM4E
SCHEMBL3586157 0.82 SLC6A7 (1.00) SLC6A7SLC6A3ALDH1A1TSHR
SCHEMBL4789639 0.82 SLC6A7 (0.68) SLC6A7SLC6A3ALDH1A1TSHRKDM4E
SCHEMBL3823144 0.81 SLC6A7 (0.76) SLC6A7SLC6A3ALDH1A1TSHRKDM4E
SCHEMBL3576489 0.80 SLC6A7 (1.00) SLC6A7SLC6A3ALDH1A1TSHRL3MBTL1
SCHEMBL3585585 0.80 SLC6A7 (1.00) SLC6A7SLC6A3ALDH1A1TSHRKDM4E
SCHEMBL3578242 0.80 SLC6A7 (1.00) SLC6A7SLC6A3ALDH1A1TSHRKDM4E
SCHEMBL3585906 0.79 SLC6A7 (0.77) SLC6A7SLC6A3ALDH1A1TSHRKDM4E
SCHEMBL4391715 0.78 SLC6A7 (0.90) SLC6A7SLC6A3ALDH1A1TSHRL3MBTL1
SCHEMBL3583123 0.78 SLC6A7 (1.00) SLC6A7SLC6A3ALDH1A1TSHRL3MBTL1

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-20100081691-A1 MULTICYCLIC COMPOUNDS AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. (US) 2010-04-01 US disclosed
WO-2006124897-A2 METHODS AND COMPOSITIONS FOR IMPROVING COGNITION LEXICON GENETICS INCORPORATED (US) 2006-11-23 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-20100081691-A1 MULTICYCLIC COMPOUNDS AND METHODS OF THEIR USE GRIN2C, CHAT, COMT SLC6A7 1113/4885SLC6A3 134/4885ALDH1A1 1258/4885

“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.