SCHEMBL4602804

SCHEMBL4602804

[CH2]c1cn(CCCOC)c2ccc(F)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICMT O60725 5/20 0.43
GSK3B P49841 1/20 0.41
CNR1 P21554 2/20 0.40
CNR2 P34972 2/20 0.40
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HTR6 P50406 2/20 0.36
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
HTR3A P46098 2/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
SLC6A2 P23975 1/20 0.35

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
SCHEMBL4602721 0.92 GSK3B (0.47) ICMTGSK3BCNR1CNR2ALDH1A1
SCHEMBL4602440 0.89 ICMT (0.43) ICMTGSK3BCNR1CNR2ALDH1A1
SCHEMBL4602810 0.84 ICMT (0.44) ICMTGSK3BCNR1CNR2ALDH1A1
SCHEMBL91289 0.82 ICMT (0.55) ICMTGSK3BCNR1CNR2ALDH1A1
SCHEMBL78865 0.81 ICMT (0.42) ICMTGSK3BCNR1CNR2ALDH1A1
SCHEMBL8241203 0.80 ALDH1A1 (0.58) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL4601796 0.80 HRH2 (0.43) ICMTGSK3BCNR1CNR2HTR6
SCHEMBL4604311 0.80 CNR2 (0.55) CNR1CNR2ALDH1A1MAPTNPC1
SCHEMBL25403772 0.79 CNR1 (0.50) ICMTCNR1CNR2ALDH1A1KDM4E
SCHEMBL31083818 0.79 CNR1 (0.50) ICMTCNR1CNR2ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080242662-A1 Organic Compounds NIHONYANAGI ATSUKO 2008-10-02 US claimed
EP-1915366-A2 PIPERAZINE DERIVATIVE RENIN INHIBITORS Novartis AG (CH) 2008-04-30 EP claimed
WO-2006128659-A2 PIPERAZINE DERIVATIVE RENIN INHIBITORS. NOVARTIS AG (CH) 2006-12-07 WO claimed
US-20080242662-A1 Organic Compounds NIHONYANAGI ATSUKO 2008-10-02 US disclosed
EP-1915366-A2 PIPERAZINE DERIVATIVE RENIN INHIBITORS Novartis AG (CH) 2008-04-30 EP disclosed
WO-2006128659-A2 PIPERAZINE DERIVATIVE RENIN INHIBITORS. NOVARTIS AG (CH) 2006-12-07 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-20080242662-A1 Organic Compounds REN, ACE, ECE1 ICMT 2436/4885GSK3B 4402/4885CNR1 506/4885

“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.