SCHEMBL31350864

SCHEMBL31350864

O=C(c1cncc(Cl)c1)N1CCN(C(c2ccccc2)c2cccnc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.61
CYP3A5 P20815 5/20 0.61
PKM P14618 1/20 0.59
MAOB P27338 1/20 0.56
NAMPT P43490 1/20 0.55
MEN1 O00255 1/20 0.51
MAPT P10636 1/20 0.51
KMT2A Q03164 1/20 0.51
MGLL Q99685 2/20 0.51
USP2 O75604 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
PLA2G7 Q13093 1/20 0.49
ABHD6 Q9BV23 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL31350838 0.93 MAOB (0.64) PKMMAOBMEN1KMT2AUSP2
SCHEMBL16598964 0.93 MAOB (0.64) PKMMAOBMEN1KMT2AUSP2
SCHEMBL31350612 0.90 MAOB (0.70) CYP3A4CYP3A5PKMMAOBNAMPT
SCHEMBL31351058 0.87 MAOB (0.56) CYP3A4CYP3A5MAOBNAMPTMEN1
SCHEMBL31350825 0.87 MAOB (0.56) CYP3A4CYP3A5MAOBNAMPTMGLL
SCHEMBL31350821 0.87 MAOB (0.56) CYP3A4CYP3A5MAOBNAMPTMEN1
SCHEMBL27404697 0.87 MAOB (0.56) CYP3A4CYP3A5PKMMAOBNAMPT
SCHEMBL31350777 0.85 MAOB (0.63) CYP3A4CYP3A5MAOBNAMPTMGLL
SCHEMBL31350976 0.85 USP2 (0.55) CYP3A4PKMMAOBUSP2CYP1A2
SCHEMBL27405772 0.84 NAMPT (0.66) CYP3A4CYP3A5PKMMAOBNAMPT

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 CYP3A4 172/4885CYP3A5 159/4885PKM 1316/4885

“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.