SCHEMBL4601803

SCHEMBL4601803

COCCn1cc(C)c2ccc(F)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 2/20 0.44
CNR1 P21554 3/20 0.43
CNR2 P34972 3/20 0.43
GRIN2B Q13224 2/20 0.41
ICMT O60725 1/20 0.40
GSK3B P49841 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HTR6 P50406 1/20 0.38
IL1B P01584 1/20 0.38
P2RX7 Q99572 1/20 0.38
NFATC1 O95644 1/20 0.38
DYRK1A Q13627 1/20 0.38
GRIN1 Q05586 1/20 0.38
PTGER4 P35408 1/20 0.36
PER2 O15055 1/20 0.36
CRY1 Q16526 1/20 0.36
CRY2 Q49AN0 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
REN P00797 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
SCHEMBL4602445 0.91 ICMT (0.44) HRH2CNR1CNR2ICMTMEN1
SCHEMBL4602725 0.88 GSK3B (0.47) HRH2CNR1CNR2GRIN2BICMT
SCHEMBL4601796 0.84 HRH2 (0.43) HRH2CNR1CNR2GRIN2BICMT
SCHEMBL4602810 0.79 ICMT (0.44) CNR1CNR2ICMTGSK3BKMT2A
SCHEMBL14577787 0.79 ICMT (0.62) CNR1CNR2ICMT
SCHEMBL4604002 0.78 CNR2 (0.55) CNR1CNR2GSK3BMEN1KMT2A
SCHEMBL13578013 0.77 SLC22A12 (0.61) HRH2CNR1PTGER4
SCHEMBL91360 0.76 REN (0.44) CNR1CNR2GSK3BMEN1KMT2A
SCHEMBL4602440 0.75 ICMT (0.43) HRH2CNR1CNR2ICMTGSK3B
SCHEMBL4602721 0.75 GSK3B (0.47) HRH2CNR1CNR2ICMTGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080242662-A1 Organic Compounds NIHONYANAGI ATSUKO 2008-10-02 US 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 HRH2 132/4885CNR1 506/4885CNR2 1043/4885

“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.