SCHEMBL3923355

SCHEMBL3923355

O=c1oc(=O)n(CC2CCCCC2)c2ccc(F)cc12

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 1/20 0.44
PLK1 P53350 1/20 0.43
OPRM1 P35372 1/20 0.42
OPRK1 P41145 1/20 0.42
OPRL1 P41146 1/20 0.42
PER2 O15055 10/20 0.42
RORA P35398 1/20 0.42
RORC P51449 1/20 0.42
RORB Q92753 1/20 0.42
NPC1 O15118 1/20 0.41
CNR1 P21554 1/20 0.41
CRY1 Q16526 2/20 0.40
CRY2 Q49AN0 2/20 0.40

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
SCHEMBL5260181 0.81 NPC1 (0.50) RORARORCRORBNPC1CNR1
SCHEMBL3924246 0.81 NR1I2 (0.43) PLK1PER2CRY2
SCHEMBL3580000 0.77 NOS3 (0.44)
SCHEMBL6689039 0.77 NPC1 (0.45) NPC1
SCHEMBL3932904 0.74 IDO1 (0.57)
SCHEMBL5259729 0.74 DHFR (0.46) RORARORCRORBNPC1
SCHEMBL5123471 0.72 MIF (0.67) PLK1NPC1
SCHEMBL6687244 0.71 PARK7 (0.42) PLK1PER2CRY1CRY2
SCHEMBL3932549 0.70 IDO1 (0.52)
SCHEMBL3920621 0.70 CD74 (0.50) PLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1786807-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2009-07-29 EP disclosed
US-7479489-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2009-01-20 US disclosed
US-20060040927-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2006-02-23 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-20060040927-A1 Heterocyclic antiviral compounds HAVCR2, POLR1A, HCCS MAPK9 2412/4885PLK1 2129/4885OPRM1 251/4885

“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.