SCHEMBL4806912

SCHEMBL4806912

CC(C)CCNCc1ccc(Oc2ccc(C#N)c(F)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 1/20 0.40
CACNA1B Q00975 1/20 0.40
MAPK1 P28482 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
HTT P42858 2/20 0.40
MITF O75030 1/20 0.40
LMNA P02545 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
GPR35 Q9HC97 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
XBP1 P17861 1/20 0.40
SLC22A12 Q96S37 2/20 0.40
LTA4H P09960 1/20 0.40
EPHX2 P34913 1/20 0.40
TRPV4 Q9HBA0 8/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
AR P10275 2/20 0.37
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL5983341 0.92 NPSR1 (0.39) CACNA1GCACNA1BMAPK1NPSR1HTT
SCHEMBL4806229 0.84 NPSR1 (0.44) CACNA1GCACNA1BMAPK1NPSR1HTT
SCHEMBL14080782 0.78 KCNJ1 (0.40) SLC22A12LTA4HTRPV4AR
SCHEMBL3699384 0.77 OPRM1 (0.45) MAPK1NPSR1HTTMITFLMNA
SCHEMBL10535321 0.74 TRPV4 (0.55) SLC22A12TRPV4AR
SCHEMBL28748012 0.74 TRPV4 (0.46) SLC22A12TRPV4AR
SCHEMBL4805091 0.71 OPRM1 (0.69) CACNA1GCACNA1B
SCHEMBL11963166 0.70 TRPV4 (0.49) TRPV4AR
SCHEMBL20871212 0.70 CHRM2 (0.64) MAPK1NPSR1HTTMITFLMNA
SCHEMBL8251673 0.70 TRPV4 (0.52) TRPV4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1699783-B1 OPIOID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2012-07-25 EP disclosed
EP-1699783-B1 OPIOID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2012-07-25 EP disclosed
US-7414132-B2 Opioid receptor antagonists ELI LILLY AND COMPANY (US) 2008-08-19 US disclosed
US-7414132-B2 Opioid receptor antagonists ELI LILLY AND COMPANY (US) 2008-08-19 US disclosed
US-7414132-B2 Opioid receptor antagonists ELI LILLY AND COMPANY (US) 2008-08-19 US disclosed
US-20070112036-A1 Opioid receptor antagonists ELI LILLY AND COMPANY (US) 2007-05-17 US disclosed
US-20070112036-A1 Opioid receptor antagonists ELI LILLY AND COMPANY (US) 2007-05-17 US disclosed
US-20070112036-A1 Opioid receptor antagonists ELI LILLY AND COMPANY (US) 2007-05-17 US 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-20070112036-A1 Opioid receptor antagonists OPRM1, OPRD1, OPRK1 CACNA1G 270/4885CACNA1B 425/4885MAPK1 3115/4885

“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.