SCHEMBL22258794

SCHEMBL22258794

Cc1cn(C2CCCCC2)nc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
HSD17B10 Q99714 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.37
GAA P10253 3/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
AADAT Q8N5Z0 1/20 0.33
ACHE P22303 3/20 0.33
LMNA P02545 2/20 0.32
ALOX15 P16050 2/20 0.32
TSHR P16473 2/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTT P42858 1/20 0.32
CREBBP Q92793 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL24152761 0.98 ALDH1A1 (0.39) ALDH1A1HSD17B10KDM4EHPGDGAA
SCHEMBL21258472 0.90 DRD2 (0.39) ALDH1A1HSD17B10KDM4EDRD2DRD4
SCHEMBL25718397 0.81 SMYD3 (0.37) DRD2DRD4DRD3AADAT
SCHEMBL26298923 0.81 LRRK2 (0.41) DRD2DRD4DRD3
SCHEMBL12179263 0.81 GABRA1 (0.46) ALDH1A1ALOX15MAPTMEN1KMT2A
SCHEMBL18012432 0.81 LRRK2 (0.43) DRD2DRD4DRD3
SCHEMBL21266847 0.81 GAA (0.45) GAADRD2DRD4DRD3ALOX15
SCHEMBL25712191 0.81 SMYD3 (0.37) DRD2DRD4DRD3AADAT
SCHEMBL26483806 0.81 ALDH1A1 (0.36) ALDH1A1HSD17B10KDM4EHPGDGAA
SCHEMBL26782831 0.78 HPGD (0.40) ALDH1A1HSD17B10KDM4EHPGDDRD2

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
EP-3856188-B1 AMINOPYRIMIDINE COMPOUND CARDURION PHARMACEUTICALS INC (US) 2023-06-21 EP disclosed
WO-2020150545-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF THE WNT/B-CATENIN SIGNALING PATHWAY SAMUMED, LLC (US) 2020-07-23 WO disclosed
US-8916593-B2 Alkoxy-substituted 2-aminopyridines as ALK inhibitors PFIZER INC. (US) 2014-12-23 US disclosed
US-20130196952-A1 HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISEASES PFIZER INC. (US) 2013-08-01 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-20130196952-A1 HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISEASES ALK, ETV6, ACVR1 ALDH1A1 143/4885HSD17B10 814/4885KDM4E 528/4885

“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.