SCHEMBL5641256

SCHEMBL5641256

NCC(CCCCc1ccccc1)c1nnn[nH]1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.42
MAOB P27338 2/20 0.38
HTR2A P28223 2/20 0.38
CYP19A1 P11511 1/20 0.37
FAAH O00519 2/20 0.37
S1PR2 O95136 1/20 0.36
S1PR4 O95977 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
CYP2D6 P10635 1/20 0.36
SIGMAR1 Q99720 2/20 0.35
HRH3 Q9Y5N1 1/20 0.35
CES1 P23141 1/20 0.35
NCEH1 Q6PIU2 1/20 0.35

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
SCHEMBL5642021 0.99 MAOA (0.41) MAOAMAOBHTR2ACYP19A1FAAH
SCHEMBL5645337 0.96 MAOA (0.40) MAOAMAOBHTR2ASIGMAR1
SCHEMBL5641436 0.90 HTR2A (0.37) MAOAHTR2ACYP19A1CYP2D6
SCHEMBL6002903 0.81 FAAH (0.46) FAAHS1PR2S1PR4S1PR1S1PR3
SCHEMBL5641607 0.80 CYP1A2 (0.41) MAOACYP2D6SIGMAR1
SCHEMBL6002777 0.79 FAAH (0.48) FAAHS1PR2S1PR4S1PR1S1PR3
SCHEMBL2097333 0.79 CES1 (0.39) MAOAMAOBCYP19A1FAAHS1PR2
SCHEMBL2096342 0.78 CES1 (0.41) FAAHS1PR2S1PR4S1PR1S1PR3
SCHEMBL2095618 0.78 CES1 (0.41) FAAHS1PR2S1PR4S1PR1S1PR3
SCHEMBL6000698 0.76 FAAH (0.41) FAAHCES1NCEH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1603890-A1 TETRAZOLE AND OXADIAZOLONE SUBSTITUTED &bgr;-AMINO ACID DERIVATIVES Warner-Lambert Company LLC (US) 2005-12-14 EP claimed
US-20050014804-A1 Tetrazole and oxadiazolone substituted beta-amino acid derivatives BARTA NANCY SUE (US) 2005-01-20 US claimed
WO-2004078734-A1 TETRAZOLE AND OXADIAZOLONE SUBSTITUTED β-AMINO ACID DERIVATIVES WARNER-LAMBERT COMPANY LLC (US) 2004-09-16 WO claimed
US-7250433-B2 Tetrazole and oxadiazolone substituted β-amino acid derivatives WARNER LAMBERT COMPANY LLC (US) 2007-07-31 US disclosed
US-20050014804-A1 Tetrazole and oxadiazolone substituted beta-amino acid derivatives BARTA NANCY SUE (US) 2005-01-20 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-20050014804-A1 Tetrazole and oxadiazolone substituted beta-amino acid derivatives GLRA2, CACNG5, GLRB MAOA 2232/4885MAOB 2177/4885HTR2A 390/4885

“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.