SCHEMBL3046358

SCHEMBL3046358

Cc1c(-c2ccc(CN(CC3CCCCC3)OC(=O)C(F)(F)F)cc2)ccc2[nH]cnc12

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.32
HTR5A P47898 2/20 0.32
AGTR1 P30556 2/20 0.32
AGTR2 P50052 1/20 0.31
CSF1R P07333 1/20 0.30
PTGES O14684 1/20 0.30
FFAR4 Q5NUL3 1/20 0.30
BRS3 P32247 1/20 0.30

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
SCHEMBL3054803 0.93 HTR5A (0.34) HTR5AAGTR1BRS3
SCHEMBL3042077 0.84 QPCT (0.34) HTR5AAGTR1BRS3
Trifluoroacetic Acid SCHEMBL3046355 0.78 HDAC6 (0.40) HTR5A
SCHEMBL3050687 0.77 HTR5A (0.34) HTR5AAGTR1BRS3
SCHEMBL3829848 0.77 HSD11B1 (0.33) PKMPTGES
SCHEMBL3048447 0.77 CNR2 (0.36) HTR5AAGTR1CSF1RBRS3
Trifluoroacetic Acid SCHEMBL3054801 0.77 VSIR (0.42) HTR5A
SCHEMBL3044737 0.76 HTR5A (0.33) HTR5AAGTR1FFAR4BRS3
SCHEMBL3046204 0.76 HTR5A (0.36) HTR5APTGESBRS3
SCHEMBL3048938 0.74 MELK (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222345-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION 2010-09-02 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-20100222345-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS OPRL1, OPRM1, OPRK1 PKM 3535/4885HTR5A 190/4885AGTR1 162/4885

“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.