SCHEMBL21926498

SCHEMBL21926498

O=C(c1cccnc1)C1CCCN(C(=O)c2ccccc2)C1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 1/20 0.64
RXFP1 Q9HBX9 1/20 0.64
ALDH1A1 P00352 7/20 0.62
HTT P42858 2/20 0.62
KDM4E B2RXH2 1/20 0.62
LMNA P02545 2/20 0.56
PKM P14618 2/20 0.56
HSP90AA1 P07900 1/20 0.55
MAPT P10636 1/20 0.55
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
VNN1 O95497 1/20 0.52
SLC18A3 Q16572 1/20 0.52
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
MAPK1 P28482 1/20 0.51
PLA2G1B P04054 1/20 0.50
ATG4B Q9Y4P1 1/20 0.50
HPGD P15428 1/20 0.50

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
SCHEMBL15646173 0.90 KLK7 (0.58) KLK7RXFP1ALDH1A1HTTKDM4E
SCHEMBL21926836 0.89 ALDH1A1 (0.57) KLK7RXFP1ALDH1A1HTTKDM4E
SCHEMBL21926987 0.88 CYP1A2 (0.64) KLK7RXFP1ALDH1A1KDM4ELMNA
SCHEMBL7302157 0.87 ALDH1A1 (0.62) KLK7RXFP1ALDH1A1HTTKDM4E
SCHEMBL5479680 0.87 ALDH1A1 (0.62) ALDH1A1LMNAPKMHSP90AA1MAPT
SCHEMBL18228368 0.86 KLK7 (0.60) KLK7RXFP1ALDH1A1HTTKDM4E
SCHEMBL18239387 0.84 KLK7 (0.58) KLK7RXFP1ALDH1A1HTTKDM4E
SCHEMBL5908875 0.84 VNN1 (0.67) KLK7RXFP1ALDH1A1HTTKDM4E
SCHEMBL12049726 0.83 KLK7 (0.56) KLK7RXFP1ALDH1A1HTTKDM4E
SCHEMBL21926387 0.82 CYP2D6 (0.60) ALDH1A1HTTKDM4ELMNAPKM

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-20200131125-A1 ARYL-PIPERIDINE DERIVATIVES ARTAX BIOPHARMA INC. 2020-04-30 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-20200131125-A1 ARYL-PIPERIDINE DERIVATIVES CD4, CD2, CCR1 KLK7 3905/4885RXFP1 1426/4885ALDH1A1 1450/4885

“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.