SCHEMBL3046969

SCHEMBL3046969

O=Cc1ccc(-c2cc3c(cc2F)ncn3C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 3/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD5 P21918 1/20 0.35
DRD3 P35462 1/20 0.35
KIF11 P52732 1/20 0.34
FGFR1 P11362 2/20 0.33
PTGS1 P23219 1/20 0.33
ACSS2 Q9NR19 1/20 0.32
GRK2 P25098 1/20 0.32
IP6K1 Q92551 1/20 0.30
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 1/20 0.30
EGFR P00533 1/20 0.30
HCAR1 Q9BXC0 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
SCHEMBL3044219 0.95 DRD1 (0.35) DRD1DRD2DRD4DRD5DRD3
SCHEMBL3047157 0.86 AKR1C3 (0.40) DRD1DRD2DRD4DRD5DRD3
SCHEMBL3047005 0.86 ALDH1A1 (0.35) DRD1DRD2DRD4DRD5DRD3
SCHEMBL3048493 0.85 AKR1C3 (0.41) DRD1DRD2DRD4DRD5DRD3
SCHEMBL3050411 0.84 FGFR1 (0.33) DRD1DRD2DRD4DRD5DRD3
SCHEMBL3044563 0.84 EGFR (0.35) FGFR1EGFR
SCHEMBL3044679 0.83 FGFR1 (0.45) DRD1DRD2DRD4DRD5DRD3
SCHEMBL3038570 0.82 FGFR1 (0.39) DRD1KIF11FGFR1GRK2IP6K1
SCHEMBL3044076 0.82 KDR (0.40) DRD1KIF11FGFR1IP6K1
SCHEMBL3047110 0.81 FGFR1 (0.42) DRD1DRD2DRD4DRD5DRD3

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
US-20100222345-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION 2010-09-02 US disclosed
EP-2049481-A2 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS SmithKline Beecham Corporation (US) 2009-04-22 EP disclosed
WO-2008021851-A2 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-21 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-20100222345-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS OPRL1, OPRM1, OPRK1 DRD1 290/4885DRD2 140/4885DRD4 334/4885

“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.