SCHEMBL1904293

SCHEMBL1904293

OCC(O)CCN1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
HSD17B10 Q99714 1/20 0.40
CXCR4 P61073 2/20 0.39
MAPT P10636 1/20 0.39
ATM Q13315 1/20 0.39
THRB P10828 1/20 0.37
ANPEP P15144 1/20 0.36
ERAP2 Q6P179 1/20 0.36
RAD52 P43351 2/20 0.35
SIGMAR1 Q99720 2/20 0.34
CHRM5 P08912 2/20 0.34
CHRM3 P20309 2/20 0.34
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
RECQL P46063 1/20 0.33

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
Hydrochloric Acid SCHEMBL1904306 0.98 SMN1; SMN2 (0.42) SMN1; SMN2POLBHSD17B10CXCR4MAPT
SCHEMBL21581307 0.88 CXCR4 (0.46) SMN1; SMN2POLBHSD17B10CXCR4MAPT
SCHEMBL21581285 0.86 CXCR4 (0.47) SMN1; SMN2POLBHSD17B10CXCR4MAPT
SCHEMBL21581275 0.85 CXCR4 (0.50) SMN1; SMN2POLBHSD17B10CXCR4MAPT
SCHEMBL7114925 0.84
SCHEMBL28303412 0.82 SMN1; SMN2 (0.39) SMN1; SMN2POLBHSD17B10CXCR4ANPEP
SCHEMBL6424566 0.82 SMN1; SMN2 (0.42) SMN1; SMN2POLBHSD17B10CXCR4ANPEP
SCHEMBL1408746 0.80 SMN1; SMN2 (0.45) SMN1; SMN2POLBHSD17B10CXCR4ANPEP
SCHEMBL3488699 0.80 MAPT (0.60) SMN1; SMN2POLBHSD17B10MAPTATM
SCHEMBL22320733 0.78 SMN1; SMN2 (0.46) SMN1; SMN2POLBHSD17B10CXCR4ANPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110229163-B Method for synthesizing hydroxyalkyl triethylene diamine compound 嘉兴润博化工科技有限公司 2022-05-24 CN claimed
CN-110229163-A A kind of hydroxy alkyl triethylenediamine class compound synthesis method 嘉兴润博化工科技有限公司 2019-09-13 CN claimed
CN-110229163-B Method for synthesizing hydroxyalkyl triethylene diamine compound 嘉兴润博化工科技有限公司 2022-05-24 CN disclosed
CN-110229163-A A kind of hydroxy alkyl triethylenediamine class compound synthesis method 嘉兴润博化工科技有限公司 2019-09-13 CN disclosed
WO-2014082889-A1 NOVEL IMIDAZOLINES AS DUAL INHIBITORS OF MDM2 AND MDMX F. HOFFMANN-LA ROCHE AG (CH) 2014-06-05 WO disclosed
US-20140148443-A1 Novel Imidazolines as dual inhibitors of MDM2 and MDMX HOFFMANN-LA ROCHE INC. (US) 2014-05-29 US disclosed
EP-2203437-B1 CHIRAL CIS-IMIDAZOLINES HOFFMANN LA ROCHE (CH) 2012-11-07 EP disclosed
EP-2325180-A1 Chiral CIS-imidazolines F. Hoffmann-La Roche AG (CH) 2011-05-25 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 (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-20140148443-A1 Novel Imidazolines as dual inhibitors of MDM2 and MDMX MDM2, MDM4, TP53 SMN1; SMN2 2225/4885POLB 3529/4885HSD17B10 4365/4885

“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.