SCHEMBL31350684

SCHEMBL31350684

O=C(c1cnccn1)N1CCN(C(c2ccccc2)c2cccnc2)CC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.73
CYP1A2 P05177 4/20 0.73
CYP2D6 P10635 4/20 0.73
USP2 O75604 3/20 0.73
MEN1 O00255 4/20 0.64
KMT2A Q03164 4/20 0.64
TSHR P16473 2/20 0.64
TP53 P04637 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
ALDH1A1 P00352 2/20 0.64
MAPK1 P28482 2/20 0.64
CYP2C9 P11712 1/20 0.64
CYP2C19 P33261 1/20 0.64
HIF1A Q16665 1/20 0.64
CYP3A5 P20815 2/20 0.57
NAMPT P43490 1/20 0.56
MAOB P27338 1/20 0.54
NPSR1 Q6W5P4 3/20 0.53
MGLL Q99685 2/20 0.53
PLA2G7 Q13093 1/20 0.53

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
SCHEMBL31350666 0.95 CYP2D6 (0.80) CYP3A4CYP1A2CYP2D6USP2MEN1
SCHEMBL31350612 0.84 MAOB (0.70) CYP3A4CYP1A2CYP2D6USP2MEN1
SCHEMBL31350777 0.82 MAOB (0.63) CYP3A4CYP1A2CYP2D6USP2ALDH1A1
SCHEMBL31350899 0.81 L3MBTL1 (0.71) CYP3A4CYP1A2CYP2D6USP2MEN1
SCHEMBL15094226 0.81 CYP3A4 (0.64) CYP3A4KMT2AALDH1A1CYP3A5NAMPT
SCHEMBL31350892 0.81 MAOB (0.57) CYP3A4CYP1A2CYP2D6USP2MEN1
SCHEMBL31350864 0.77 CYP3A4 (0.61) CYP3A4CYP1A2CYP2D6USP2MEN1
SCHEMBL31350821 0.77 MAOB (0.56) CYP3A4CYP1A2CYP2D6USP2MEN1
SCHEMBL31350825 0.77 MAOB (0.56) CYP3A4CYP1A2CYP2D6USP2TSHR
SCHEMBL31351058 0.77 MAOB (0.56) CYP3A4CYP1A2CYP2D6USP2MEN1

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 172/4885CYP1A2 379/4885CYP2D6 125/4885

“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.