SCHEMBL6042680

SCHEMBL6042680

CN(C)CCCOc1ccccc1C(=O)O

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.63
KMT2A Q03164 1/20 0.63
PTK2B Q14289 1/20 0.63
KDM4E B2RXH2 8/20 0.58
HRH1 P35367 2/20 0.56
HTR1B P28222 1/20 0.54
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 1/20 0.51
CYP2C9 P11712 1/20 0.51
RAB9A P51151 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
LMNA P02545 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
SCHEMBL3453978 0.92 ALDH1A1 (0.65) ALDH1A1KMT2APTK2BKDM4EHRH1
Hydrochloric Acid SCHEMBL15048947 0.90 ALDH1A1 (0.63) ALDH1A1KMT2APTK2BKDM4EHRH1
SCHEMBL11811055 0.89 KDM4E (0.56) ALDH1A1KDM4EHRH1HTR1BSMN1; SMN2
SCHEMBL16676613 0.87 LMNA (0.66) ALDH1A1KDM4EHRH1HTR1BHTT
SCHEMBL26210242 0.85 ALDH1A1 (0.56) ALDH1A1KMT2APTK2BKDM4EHTT
SCHEMBL11334557 0.84 ALDH1A1 (0.66) ALDH1A1KMT2APTK2BKDM4EHTT
SCHEMBL11343273 0.84 KDM4E (0.63) ALDH1A1KMT2AKDM4EHRH1HTR1B
SCHEMBL212173 0.84 ALDH1A1 (0.79) ALDH1A1KMT2APTK2BKDM4EHTT
Hydrochloric Acid SCHEMBL8415688 0.84 ALDH1A1 (0.55) ALDH1A1KMT2APTK2BKDM4EHTT
SCHEMBL16674534 0.83 KDM4E (0.55) ALDH1A1KDM4EHRH1HTR1BHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4298603-A LOCAL ANESTHETICS INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 1981-11-03 US claimed
US-11873291-B2 Quinoline cGAS antagonist compounds IMMUNESENSOR THERAPEUTICS, INC. (US) 2024-01-16 US disclosed
US-20230357158-A1 QUINOLINE cGAS ANTAGONIST COMPOUNDS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2023-11-09 US disclosed
US-20060089355-A1 Methods of treating alzheimer's disease using aromatically substituted w-amino-alkanoic acid amides and alkanoic acid diamides ELAN PHARMACEUTICALS, INC. 2006-04-27 US disclosed
WO-2003103652-A1 METHODS OF TREATING ALZHEIMER’S DISEASE USING AROMATICALLY SUBSTITUTED ω-AMINO-ALKANOIC ACID AMIDES AND ALKANOIC ACID DIAMIDES ELAN PHARMACEUTICALS, INC. (US) 2003-12-18 WO disclosed
US-5641778-A EXHIBIT RENIN-INHIBITING PROPERTIES AND CAN BE USED AS ANTIHYPERTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1997-06-24 US disclosed
CN-1136556-A Aromatic group substituted W-amino alkyl amide and alkyl amide CIBA GEIGY CO LTD (CH) 1996-11-27 CN disclosed
EP-0716077-A1 Aromatically substituted omega amino alcanoic acid amides and alcanoic diamides and their use as renine inhibitors CIBA-GEIGY AG (CH) 1996-06-12 EP disclosed
US-4298603-A LOCAL ANESTHETICS INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 1981-11-03 US disclosed
EP-0031632-A1 O-Aminoalkylsalicylates, process for their preparation, and their pharmaceutical compositions INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 1981-07-08 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 (3 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-11873291-B2 Quinoline cGAS antagonist compounds CGAS, GLS2, GLS ALDH1A1 4236/4885KMT2A 4371/4885PTK2B 2860/4885
US-20060089355-A1 Methods of treating alzheimer's disease using aromatically substituted w-amino-alkanoic acid amides and alkanoic acid diamides APP, BACE1, BACE2 ALDH1A1 1039/4885KMT2A 2309/4885PTK2B 4453/4885
US-20230357158-A1 QUINOLINE cGAS ANTAGONIST COMPOUNDS CGAS, GLS2, GLS ALDH1A1 4236/4885KMT2A 4371/4885PTK2B 2860/4885

“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.