SCHEMBL31350892

SCHEMBL31350892

O=C(c1ccnc(O)c1)N1CCN(C(c2ccccc2)c2cccnc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.57
NAMPT P43490 1/20 0.56
CYP3A4 P08684 3/20 0.54
CYP3A5 P20815 2/20 0.54
MGLL Q99685 2/20 0.52
USP2 O75604 3/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2D6 P10635 2/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
NPSR1 Q6W5P4 2/20 0.50
PLA2G7 Q13093 1/20 0.50
ABHD6 Q9BV23 1/20 0.50
OPRM1 P35372 1/20 0.49
OPRD1 P41143 1/20 0.49
OPRK1 P41145 1/20 0.49
OPRL1 P41146 1/20 0.49
MEN1 O00255 1/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL27406060 0.92 MAOB (0.68) MAOBCYP3A4USP2CYP1A2CYP2D6
SCHEMBL31350612 0.86 MAOB (0.70) MAOBNAMPTCYP3A4CYP3A5MGLL
SCHEMBL31350777 0.84 MAOB (0.63) MAOBNAMPTCYP3A4CYP3A5MGLL
SCHEMBL31350821 0.83 MAOB (0.56) MAOBNAMPTCYP3A4CYP3A5MGLL
SCHEMBL31350864 0.81 CYP3A4 (0.61) MAOBNAMPTCYP3A4CYP3A5MGLL
SCHEMBL31350825 0.81 MAOB (0.56) MAOBNAMPTCYP3A4CYP3A5MGLL
SCHEMBL31351058 0.81 MAOB (0.56) MAOBNAMPTCYP3A4CYP3A5MGLL
SCHEMBL27404697 0.81 MAOB (0.56) MAOBNAMPTCYP3A4CYP3A5MGLL
SCHEMBL31350684 0.81 CYP3A4 (0.73) MAOBNAMPTCYP3A4CYP3A5MGLL
SCHEMBL31350991 0.79 TDP1 (0.62) MAOBNAMPTCYP3A4CYP3A5MGLL

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 1253/4885NAMPT 2286/4885CYP3A4 172/4885

“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.