SCHEMBL7216508

SCHEMBL7216508

NCc1cnc(N2CCOCC2)cc1-c1ccccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 12/20 0.58
LRRK2 Q5S007 1/20 0.47
ATR Q13535 1/20 0.45
ATRIP Q8WXE1 1/20 0.45
LMNA P02545 2/20 0.45
POLB P06746 1/20 0.45
HTT P42858 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
HIF1A Q16665 1/20 0.44
MAPK14 Q16539 1/20 0.44
DPP4 P27487 1/20 0.43

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
SCHEMBL7216515 0.78 CNR2 (0.58) CNR2LRRK2ATRATRIPLMNA
SCHEMBL27684509 0.74 CNR2 (0.43) CNR2ATRATRIPLMNAHTT
SCHEMBL1869744 0.74 DPP4 (0.58) POLBDPP4
SCHEMBL3249571 0.74 CNR2 (1.00) CNR2RAB9A
SCHEMBL27667321 0.69 CNR2 (0.64) CNR2LMNAPOLBHTTNPC1
SCHEMBL6991366 0.69 TACR1 (0.54) CNR2ATRATRIPCYP1A2CYP3A4
SCHEMBL17476480 0.69 TACR1 (0.49) CNR2ATRATRIPLMNACYP1A2
SCHEMBL21246773 0.68 CNR2 (0.52) CNR2CYP1A2CYP2D6CYP2C19
SCHEMBL4675475 0.68 CNR2 (0.53) CNR2ATRATRIPLMNAHTT
SCHEMBL27664997 0.68 PIK3CB (0.44) CNR2LMNAPOLBHTTRAB9A

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
EP-1368295-B1 PROCESS FOR THE MANUFACTURE OF PHENYLACETIC ACID DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-04-12 EP disclosed
EP-1368295-A1 PROCESS FOR THE MANUFACTURE OF PHENYLACETIC ACID DERIVATIVES F. Hoffman-la Roche AG (CH) 2003-12-10 EP disclosed
US-6531597-B2 Reacting a halo substituted benzene with a ketone to form a hydroxyalkyl benzene that is carbonylated with a strong acid HOFFMANN-LA ROCHE INC. 2003-03-11 US disclosed
US-20020156313-A1 Process for preparation of 2-phenyl acetic acid derivatives HOFFMANN-LA ROCHE INC. 2002-10-24 US disclosed
WO-2002079134-A1 PROCESS FOR THE MANUFACTURE OF PHENYLACETIC ACID DERIVATIVES F. HOFFMANN-LA-ROCHE AG (CH) 2002-10-10 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-20020156313-A1 Process for preparation of 2-phenyl acetic acid derivatives ALDH1A1, UGT1A1, PAH CNR2 3658/4885LRRK2 3987/4885ATR 4486/4885

“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.