SCHEMBL4729933

SCHEMBL4729933

N#Cc1cc(-c2cccc(Cl)c2)ccc1NC1CCN(c2ncccn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 12/20 0.48
SLC6A3 Q01959 2/20 0.48
CNR1 P21554 2/20 0.44
CNR2 P34972 2/20 0.44
TP53 P04637 1/20 0.41
MAP4K4 O95819 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL4732906 0.86 SLC6A7 (0.53) SLC6A7SLC6A3CNR1CNR2MAP4K4
SCHEMBL4734023 0.84 SLC6A7 (0.51) SLC6A7SLC6A3CNR1CNR2MAP4K4
SCHEMBL5102741 0.84 SLC6A7 (0.51) SLC6A7SLC6A3CNR1CNR2TP53
SCHEMBL4731854 0.84 SLC6A7 (0.51) SLC6A7SLC6A3CNR1CNR2MAP4K4
SCHEMBL5090495 0.81 SCD (0.53) SLC6A7SLC6A3CNR1CNR2MAP4K4
SCHEMBL14175664 0.81 SLC6A7 (0.58) SLC6A7SLC6A3CNR1CNR2MAP4K4
SCHEMBL4732695 0.80 CNR1 (0.41) CNR1CNR2TP53KDM4EMAPT
SCHEMBL4732580 0.80 SLC6A7 (0.49) SLC6A7SLC6A3CNR1CNR2TP53
SCHEMBL4730640 0.79 ALDH1A1 (0.44) SLC6A7CNR1CNR2TP53KDM4E
SCHEMBL4730349 0.77 SLC6A7 (0.43) SLC6A7SLC6A3CNR1CNR2KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080139598-A1 Amine-linked Multicyclic Compounds and Methods of Their Use LEXICON PHARMACEUTICALS, INC. 2008-06-12 US claimed
WO-2008058064-A1 AMINE-LINKED MULTICYCLIC COMPOUNDS AS INHIBITORS OF THE PROLINE TRANSPORTER LEXICON PHARMACEUTICALS, INC. (US) 2008-05-15 WO claimed
US-20080139598-A1 Amine-linked Multicyclic Compounds and Methods of Their Use LEXICON PHARMACEUTICALS, INC. 2008-06-12 US disclosed
WO-2008058064-A1 AMINE-LINKED MULTICYCLIC COMPOUNDS AS INHIBITORS OF THE PROLINE TRANSPORTER LEXICON PHARMACEUTICALS, INC. (US) 2008-05-15 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-20080139598-A1 Amine-linked Multicyclic Compounds and Methods of Their Use MAOB, HNMT, MAOA SLC6A7 607/4885SLC6A3 263/4885CNR1 151/4885

“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.