SCHEMBL5824435

SCHEMBL5824435

Cc1ccccc1CN1CCC(N)C1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.64
KMT2A Q03164 3/20 0.54
CYP2A13 Q16696 1/20 0.53
LMNA P02545 2/20 0.51
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
DRD4 P21917 2/20 0.49
CXCR4 P61073 1/20 0.48
GBA1 P04062 2/20 0.47
KDM4E B2RXH2 2/20 0.46
SIGMAR1 Q99720 1/20 0.44
MEN1 O00255 1/20 0.44
CYP2C19 P33261 1/20 0.43

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
SCHEMBL17968039 1.00 ACHE (0.64) ACHEKMT2ACYP2A13LMNAALDH1A1
Hydrochloric Acid SCHEMBL4227174 0.98 ACHE (0.62) ACHEKMT2ACYP2A13LMNAALDH1A1
SCHEMBL8107673 0.90 ACHE (0.73) ACHEKMT2ACYP2A13LMNAALDH1A1
SCHEMBL6941873 0.90 ACHE (0.73) ACHEKMT2ACYP2A13LMNAALDH1A1
Hydrochloric Acid SCHEMBL8786449 0.89 ACHE (0.71) ACHEKMT2ACYP2A13LMNAALDH1A1
SCHEMBL4222739 0.88 ACHE (0.49) ACHEKMT2ACYP2A13LMNAALDH1A1
SCHEMBL15084359 0.82 ACHE (0.81) ACHEKMT2ACYP2A13LMNAALDH1A1
SCHEMBL21460313 0.81 KDM1A (0.47) ACHEKMT2AALDH1A1KDM4EMEN1
SCHEMBL5824541 0.81 CXCR4 (0.65) KMT2ACYP2A13ALDH1A1CXCR4KDM4E
SCHEMBL14344767 0.81 ACHE (0.64) ACHEKMT2ACYP2A13LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7135466-B2 Quinoline and quinazoline derivatives and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-11-14 US disclosed
US-20060211717-A1 Quinoline and quinazoline derivatives and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-09-21 US disclosed
US-20040132727-A1 Quinoline and quinazoline derivatives and drugs containing the same KIRIN HOLDINGS KABUSHIKI KAISHA (JP) 2004-07-08 US disclosed
EP-1243582-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES AND DRUGS CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2002-09-25 EP 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 (2 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-20060211717-A1 Quinoline and quinazoline derivatives and drugs containing the same PDGFRA, PDGFRB, PDGFA ACHE 3138/4885KMT2A 2022/4885CYP2A13 3816/4885
US-20040132727-A1 Quinoline and quinazoline derivatives and drugs containing the same PDGFRA, PDGFRB, PDGFA ACHE 3471/4885KMT2A 2006/4885CYP2A13 3429/4885

“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.