SCHEMBL23033355

SCHEMBL23033355

Cn1nnc(C(c2ccccc2)N2CCN(C(=O)OC(C)(C)C)CC2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
MGLL Q99685 2/20 0.47
GLS O94925 1/20 0.46
NR2E1 Q9Y466 1/20 0.46
CYP3A4 P08684 3/20 0.45
CYP3A5 P20815 2/20 0.45
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
ATM Q13315 2/20 0.44
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
FAAH O00519 1/20 0.42
HTT P42858 1/20 0.42
MAOB P27338 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41

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
SCHEMBL29479761 0.89 CYP2D6 (0.48) KMT2AMEN1CYP3A4CYP2D6CYP2C9
SCHEMBL28710689 0.87 KMT2A (0.46) KMT2AMEN1MGLLGLSNR2E1
SCHEMBL23033977 0.87 GPR119 (0.44) MGLLCYP3A4CYP3A5ATMALDH1A1
SCHEMBL23034197 0.86 USP30 (0.40) KMT2AMEN1GLSATMGPR119
SCHEMBL28713872 0.85 CYP3A4 (0.49) KMT2AMEN1GLSCYP3A4CYP3A5
SCHEMBL31165945 0.85 ATM (0.41) KMT2AMEN1GLSCYP3A4CYP2D6
SCHEMBL23033212 0.84 KMT2A (0.66) KMT2AMEN1MGLLNR2E1CYP3A4
SCHEMBL31165955 0.84 CYP2D6 (0.37) KMT2AMEN1GLSCYP3A4CYP2D6
SCHEMBL23012804 0.84 SMARCA2 (0.42) KMT2AMEN1GLSATMGPR119
SCHEMBL28707277 0.84 SMARCA2 (0.42) KMT2AMEN1GLSATMGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11040963-B2 Piperazine derivatives for influenza virus inhibitions JANSSEN VACCINES & PREVENTION B.V. (NL) 2021-06-22 US disclosed
WO-2021032209-A1 ANTI-INFLUENZA VIRUS COMPOUND, PREPARATION METHOD AND USE THEREOF 四川海思科制药有限公司 2021-02-25 WO 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-11040963-B2 Piperazine derivatives for influenza virus inhibitions HAVCR2, BAZ2A, MAVS KMT2A 1480/4885MEN1 4153/4885MGLL 2930/4885

“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.