SCHEMBL13864889

SCHEMBL13864889

O=C1OC2(CCNCC2)c2cc(F)ccc2N1CC1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 6/20 0.46
OPRM1 P35372 6/20 0.46
OPRK1 P41145 4/20 0.46
CCR3 P51677 1/20 0.38
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
DRD2 P14416 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
SCN9A Q15858 1/20 0.36
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 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
SCHEMBL13864888 0.79 OPRM1 (0.43) OPRL1OPRM1OPRK1
SCHEMBL13864787 0.76 CCR5 (0.56) OPRL1OPRM1OPRK1
SCHEMBL631125 0.76 TACR3 (0.42) OPRL1OPRM1OPRK1
SCHEMBL12434215 0.72 OPRL1 (0.56) OPRL1OPRM1OPRK1SCN9ACRHR1
SCHEMBL4160469 0.70 OPRL1 (0.47) OPRL1OPRM1OPRK1SCN9ACRHR1
SCHEMBL3186945 0.67 OPRL1 (0.52) OPRL1OPRM1OPRK1SCN9AOPRD1
SCHEMBL22057308 0.66 NPY5R (0.45) SIGMAR1
SCHEMBL4157330 0.66 AKR1B1 (0.50) OPRL1OPRM1OPRK1SCN9ACRHR1
SCHEMBL4460379 0.65 TACR3 (0.34)
SCHEMBL631308 0.65 KMT2A (0.46)

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-7538122-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2009-05-26 US disclosed
US-7538122-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2009-05-26 US disclosed
US-20080139544-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2008-06-12 US disclosed
US-20080139544-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2008-06-12 US disclosed
US-7332500-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2008-02-19 US disclosed
US-7332500-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2008-02-19 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-20080139544-A1 Heterocyclic antiviral compounds CCR5, CCR3, CCR1 OPRL1 53/4885OPRM1 35/4885OPRK1 33/4885

“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.