SCHEMBL5645337

SCHEMBL5645337

NCC(CCCc1ccccc1)c1nnn[nH]1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.40
HTR2A P28223 2/20 0.39
SIGMAR1 Q99720 3/20 0.36
GRIK1 P39086 1/20 0.35
CYP2A6 P11509 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.35
MAOB P27338 2/20 0.35
IDO1 P14902 1/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
MPO P05164 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL5641256 0.96 MAOA (0.42) MAOAHTR2ASIGMAR1MAOB
SCHEMBL5642021 0.94 MAOA (0.41) MAOAHTR2ASIGMAR1MAOB
SCHEMBL5641436 0.91 HTR2A (0.37) MAOAHTR2ACYP2A6SMN1; SMN2TAAR1
SCHEMBL5641607 0.81 CYP1A2 (0.41) MAOASIGMAR1CYP2A6TAAR1LOXL2
SCHEMBL6000698 0.80 FAAH (0.41) GRIK1SMN1; SMN2SLC6A3
SCHEMBL2093740 0.79 DAO (0.38) MAOASIGMAR1GRIK1SMN1; SMN2SLC6A3
SCHEMBL6002903 0.76 FAAH (0.46)
SCHEMBL9462841 0.75 CYP19A1 (0.38) SIGMAR1GRIK1
SCHEMBL6222556 0.75 CYP1A2 (0.41) MAOAHTR2ACYP2A6SMN1; SMN2TAAR1
SCHEMBL2097333 0.75 CES1 (0.39) MAOAMAOB

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-7250433-B2 Tetrazole and oxadiazolone substituted β-amino acid derivatives WARNER LAMBERT COMPANY LLC (US) 2007-07-31 US disclosed
EP-1603890-A1 TETRAZOLE AND OXADIAZOLONE SUBSTITUTED &bgr;-AMINO ACID DERIVATIVES Warner-Lambert Company LLC (US) 2005-12-14 EP disclosed
US-20050014804-A1 Tetrazole and oxadiazolone substituted beta-amino acid derivatives BARTA NANCY SUE (US) 2005-01-20 US disclosed
WO-2004078734-A1 TETRAZOLE AND OXADIAZOLONE SUBSTITUTED β-AMINO ACID DERIVATIVES WARNER-LAMBERT COMPANY LLC (US) 2004-09-16 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-20050014804-A1 Tetrazole and oxadiazolone substituted beta-amino acid derivatives GLRA2, CACNG5, GLRB MAOA 2232/4885HTR2A 390/4885SIGMAR1 379/4885

“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.