SCHEMBL3387568

SCHEMBL3387568

O=C(NC1CCCC1)C1CC1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.64
EPHX1 P07099 5/20 0.56
EPHX2 P34913 4/20 0.56
ALDH1A1 P00352 3/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
MAPT P10636 2/20 0.56
KDM4E B2RXH2 1/20 0.56
CYP3A4 P08684 1/20 0.56
MAPK1 P28482 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
LMNA P02545 1/20 0.56
HTT P42858 1/20 0.55
GAA P10253 1/20 0.55
TSHR P16473 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
SCHEMBL28663286 0.97 POLB (0.61) POLBEPHX1EPHX2ALDH1A1NPC1
SCHEMBL994458 0.97 POLB (0.61) POLBEPHX1EPHX2ALDH1A1NPC1
SCHEMBL124227 0.97 POLB (0.61) POLBEPHX1EPHX2ALDH1A1NPC1
SCHEMBL15568165 0.95 POLB (0.64) POLBEPHX1EPHX2ALDH1A1NPC1
SCHEMBL16767862 0.95 MAPT (0.61) POLBEPHX1EPHX2ALDH1A1NPC1
SCHEMBL24383487 0.92 MAPT (0.64) POLBEPHX1EPHX2ALDH1A1NPC1
SCHEMBL23946128 0.92 MAPT (0.64) POLBEPHX1EPHX2ALDH1A1NPC1
SCHEMBL24383312 0.92 MAPT (0.64) POLBEPHX1EPHX2ALDH1A1NPC1
SCHEMBL24606366 0.92 MAPT (0.64) POLBEPHX1EPHX2ALDH1A1NPC1
SCHEMBL24383446 0.92 MAPT (0.64) POLBEPHX1EPHX2ALDH1A1NPC1

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-10022354-B2 Pyrrolidine amide compounds as histone demethylase inhibitors GENENTECH, INC. (US) 2018-07-17 US disclosed
US-20170312252-A1 PYRROLIDINE AMIDE COMPOUNDS AS HISTONE DEMETHYLASE INHIBITORS WUXI APPTEC (SHANGHAI) CO. LTD (CN) 2017-11-02 US disclosed
WO-2010052448-A2 FUSED PYRAZINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2010-05-14 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 (2 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-20170312252-A1 PYRROLIDINE AMIDE COMPOUNDS AS HISTONE DEMETHYLASE INHIBITORS KDM5A, KDM5C, KDM5B POLB 1273/4885EPHX1 2028/4885EPHX2 2068/4885
US-10022354-B2 Pyrrolidine amide compounds as histone demethylase inhibitors KDM5A, KDM5C, KDM1B POLB 1271/4885EPHX1 1995/4885EPHX2 2085/4885

“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.