SCHEMBL31350705

SCHEMBL31350705

O=C(c1cncc2cc[nH]c12)N1CCN(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.52
NPSR1 Q6W5P4 7/20 0.52
MAPT P10636 3/20 0.52
NAMPT P43490 1/20 0.49
ALDH1A1 P00352 5/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NOD2 Q9HC29 1/20 0.47
KMT2A Q03164 5/20 0.47
MEN1 O00255 3/20 0.47
MAPK1 P28482 1/20 0.47
MGLL Q99685 3/20 0.46
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
NR2E1 Q9Y466 1/20 0.45
LMNA P02545 1/20 0.45
FAAH O00519 2/20 0.45
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44

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
SCHEMBL31351051 0.87 USP2 (0.41) MAOBNPSR1MAPTNAMPTALDH1A1
SCHEMBL31350927 0.87 NPSR1 (0.43) MAOBNPSR1MAPTNAMPTALDH1A1
SCHEMBL16598698 0.85 NPSR1 (0.58) MAOBNPSR1MAPTALDH1A1TSHR
SCHEMBL27405902 0.84 MAOB (0.52) MAOBNPSR1MAPTNAMPTALDH1A1
SCHEMBL31350895 0.82 MAOB (0.52) MAOBNPSR1MAPTNAMPTALDH1A1
SCHEMBL31350961 0.81 HCRTR1 (0.41) ALDH1A1TSHRMGLLKDM4ECNR1
SCHEMBL31350742 0.76 MAOB (0.59) MAOBNPSR1MAPTNAMPTALDH1A1
SCHEMBL31350866 0.76 CYP3A4 (0.48)
SCHEMBL27406715 0.74 NPSR1 (0.60) MAOBNPSR1MAPTNAMPTALDH1A1
SCHEMBL31350905 0.74 NPSR1 (0.70) MAOBNPSR1MAPTNAMPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250084091-A1 INHIBITORS OF SARS-COV-2 TEXAS A & M UNIV SYS (US) 2025-03-13 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-20250084091-A1 INHIBITORS OF SARS-COV-2 ACE2, ACE, TMPRSS2 MAOB 1253/4885NPSR1 2013/4885MAPT 3981/4885

“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.