SCHEMBL20448552

SCHEMBL20448552

[c]1ccc(NCC2CCOCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 1/20 0.47
CNR2 P34972 1/20 0.44
EGLN2 Q96KS0 2/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
CHEK1 O14757 1/20 0.36
CSF1R P07333 1/20 0.36
VNN1 O95497 1/20 0.36
KDR P35968 1/20 0.36
CARM1 Q86X55 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
HIF1A Q16665 1/20 0.34
FYN P06241 1/20 0.33
CCNT1 O60563 1/20 0.33
CDK9 P50750 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 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
SCHEMBL1615309 0.87 CARM1 (0.39) KCNH3CNR2EGLN2ALDH1A1KDM4E
SCHEMBL694781 0.81 ALDH1A1 (0.43) ALDH1A1CARM1PRMT6ALDH3A1
SCHEMBL5793778 0.81 KCNH3 (0.65) KCNH3CNR2EGLN2ALDH1A1KDM4E
SCHEMBL23899720 0.79 CNR2 (0.47) KCNH3CNR2ALDH1A1KDM4EGAA
SCHEMBL13460443 0.79 KCNH3 (0.47) KCNH3CNR2EGLN2ALDH1A1KDM4E
SCHEMBL21256816 0.79 KCNH3 (0.47) KCNH3CNR2EGLN2ALDH1A1KDM4E
SCHEMBL22680866 0.78 CNR2 (0.47) KCNH3CNR2ALDH1A1KDM4EGAA
SCHEMBL15717874 0.78 EGLN2 (0.56) KCNH3CNR2EGLN2ALDH1A1KDM4E
SCHEMBL23852179 0.76 KCNH3 (0.40) KCNH3EGLN2ALDH1A1KDM4EGAA
SCHEMBL17845399 0.76 GAA (0.45) KCNH3CNR2ALDH1A1KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180265467-A1 PYRAZOLIDINE DERIVATIVES AND RELATED COMPOUNDS SELVITA S.A. (PL) 2018-09-20 US claimed
EP-3356331-A1 PYRAZOLIDINE DERIVATIVES AND RELATED COMPOUNDS Selvita S.A. (PL) 2018-08-08 EP claimed
US-20180265467-A1 PYRAZOLIDINE DERIVATIVES AND RELATED COMPOUNDS SELVITA S.A. (PL) 2018-09-20 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-20180265467-A1 PYRAZOLIDINE DERIVATIVES AND RELATED COMPOUNDS LDHB, LDHA, PDK1 KCNH3 1485/4885CNR2 4061/4885EGLN2 472/4885

“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.