SCHEMBL5230823

SCHEMBL5230823

CCC(=O)NCCCN1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.56
TP53 P04637 1/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
ALDH1A1 P00352 3/20 0.52
ACHE P22303 3/20 0.51
KDM4E B2RXH2 2/20 0.49
MAPK1 P28482 2/20 0.49
POLB P06746 1/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
ATM Q13315 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.47
CYP1A2 P05177 1/20 0.47

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
SCHEMBL6196093 0.98 SMN1; SMN2 (0.57) SMN1; SMN2TP53MEN1KMT2AALDH1A1
SCHEMBL84849 0.89 ALDH1A1 (0.57) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E
SCHEMBL84386 0.87 CA12 (0.55) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E
SCHEMBL5570062 0.86 TP53 (0.60) SMN1; SMN2TP53MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL23722070 0.85 CA12 (0.53) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E
SCHEMBL7154059 0.85 ALDH1A1 (0.58) SMN1; SMN2TP53ALDH1A1ACHEKDM4E
SCHEMBL7245255 0.84 ADRA1A (0.57) SMN1; SMN2TP53ALDH1A1ACHEMAPK1
SCHEMBL8256720 0.84 HRH3 (0.53) SMN1; SMN2TP53ALDH1A1ACHEKDM4E
SCHEMBL11439632 0.83 ALDH1A1 (0.56) SMN1; SMN2TP53ALDH1A1KDM4EHRH3
SCHEMBL8433585 0.83 ALDH1A1 (0.66) SMN1; SMN2ALDH1A1KDM4EMAPK1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019165229-A1 SMALL MOLECULES FOR INDUCING SELECTIVE PROTEIN DEGRADATION AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-08-29 WO disclosed
WO-2017044849-A1 CYANO THIENOTRIAZOLODIAZEPINES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-03-16 WO disclosed
US-20070249618-A1 Novel Piperidine Derivatives as Histamine H3 Receptor Ligands for Treatment of Depression ASTRAZENECA AB (SE) 2007-10-25 US disclosed
EP-1844001-A1 METABOLITES OF 2-ARYLPROPIONIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE' pha.r.ma s.p.a. (IT) 2007-10-17 EP disclosed
WO-2006079624-A1 METABOLITES OF 2-ARYLPROPIONIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE' PHA.R.MA. S.P.A. (IT) 2006-08-03 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-20070249618-A1 Novel Piperidine Derivatives as Histamine H3 Receptor Ligands for Treatment of Depression HRH3, HRH1, HRH4 SMN1; SMN2 4112/4885TP53 4618/4885MEN1 3623/4885

“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.