SCHEMBL17026832

SCHEMBL17026832

CC1(C)CNc2ccc(C(F)(F)F)cc2O1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.36
MEN1 O00255 2/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PGR P06401 1/20 0.35
DAO P14920 1/20 0.35
METAP2 P50579 1/20 0.35
KIF11 P52732 3/20 0.34
HSPA9 P38646 1/20 0.34
CTSD P07339 1/20 0.33
BACE1 P56817 1/20 0.33
ACE2 Q9BYF1 1/20 0.33
CYBB P04839 1/20 0.33
NOX3 Q9HBY0 1/20 0.33
NOX4 Q9NPH5 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
SCHEMBL6123995 0.88 KIF11 (0.45) KDM4EPGRKIF11HSPA9CTSD
SCHEMBL9147420 0.88 MAPT (0.39) TRPV1MEN1GAAMAPTKMT2A
SCHEMBL17027149 0.86 KDM4E (0.36) TRPV1KDM4EALDH1A1KIF11
SCHEMBL17026782 0.79 KMT2A (0.37) MEN1GAAMAPTKMT2AKDM4E
SCHEMBL17026917 0.78 CES1 (0.41) TRPV1KDM4EPGRHSPA9
SCHEMBL13543883 0.77 KDM4E (0.39) MEN1GAAMAPTKMT2AKDM4E
SCHEMBL3583218 0.76 KDM4E (0.45) MEN1GAAMAPTKMT2AKDM4E
SCHEMBL17026771 0.76 HTR2C (0.40) TRPV1KDM4EPGR
SCHEMBL6123996 0.76 KDM4E (0.38) MEN1GAAMAPTKMT2AKDM4E
SCHEMBL21004970 0.73 KDM4E (0.36) TRPV1KDM4EALDH1A1KIF11

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-20170066717-A1 NEW PHENYLAZETIDINECARBOXYLATE OR -CARBOXAMIDE COMPOUNDS INVENTIVA (FR) 2017-03-09 US disclosed
EP-3107910-A1 NEW PHENYLAZETIDINE, CARBOXYLATE OR CARBOXAMIDE COMPOUNDS INVENTIVA (FR) 2016-12-28 EP disclosed
WO-2015124868-A1 NEW PHENYLAZETIDINE, CARBOXYLATE OR CARBOXAMIDE COMPOUNDS INVENTIVA (FR) 2015-08-27 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-20170066717-A1 NEW PHENYLAZETIDINECARBOXYLATE OR -CARBOXAMIDE COMPOUNDS NCOR1, NCOR2, NCOA1 TRPV1 2511/4885MEN1 2882/4885GAA 4276/4885

“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.