Sugi Predict

Sugi Predict / Compounds / SCHEMBL5057718

SCHEMBL5057718

SCHEMBL5057718

CC(=O)N1c2ccc(Cl)cc2N=C(c2ccc(F)cc2)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 11/20 0.43
▸ DRD1 P21728 9/20 0.43
▸ CNR1 P21554 4/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ RARA P10276 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ RARB P10826 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ SCN9A Q15858 1/20 0.38
▸ OPRK1 P41145 2/20 0.37
▸ OPRD1 P41143 1/20 0.37
▸ DRD4 P21917 1/20 0.37
▸ HRH4 Q9H3N8 1/20 0.37

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
SCHEMBL5054071 0.82 DRD2 (0.54) DRD2DRD1MEN1TP53RARA
SCHEMBL14513437 0.79 CNR1 (0.66) DRD2CNR1TP53MAPTMAPK1
SCHEMBL3414281 0.70 CNR1 (0.58) DRD2DRD1CNR1MEN1MAPT
SCHEMBL13807854 0.70 CNR1 (0.64) DRD2CNR1TP53MAPTMAPK1
SCHEMBL14043598 0.69 CNR1 (0.66) DRD2CNR1TP53MAPTMAPK1
SCHEMBL13807861 0.67 CNR1 (0.59) DRD2CNR1MAPTMAPK1SMN1; SMN2
SCHEMBL5064848 0.66 CNR1 (0.66) DRD2CNR1MEN1TP53RARA
SCHEMBL7957496 0.66 DRD2 (0.44) DRD2DRD1MAPK1DRD4HRH4
SCHEMBL29706233 0.65 OPRK1 (0.48) DRD2MEN1TP53RARAMAPT
SCHEMBL12640693 0.64 IDO1 (0.50) CNR1MEN1MAPTTSHRRECQL

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
WO-2008118141-A2 USE OF CANNABINOID MODULATING COMPOUNDS IN COMBINATION WITH OTHER THERAPEUTIC COMPOUNDS FOR ADJUNCTIVE THERAPY ACADIA PHARMACEUTICALS INC. (US) 2008-10-02 — — WO disclosed
US-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE ACADIA PHARMACEUTICALS INC. (US) 2008-04-17 — — US disclosed
US-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE ACADIA PHARMACEUTICALS INC. (US) 2008-04-17 — — US disclosed
US-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE ACADIA PHARMACEUTICALS INC. (US) 2008-04-17 — — US disclosed
US-20070105819-A1 CB-1 modulating compounds and their use ACADIA PHARMACEUTICALS, INC. 2007-05-10 — — US disclosed
US-20070105819-A1 CB-1 modulating compounds and their use ACADIA PHARMACEUTICALS, INC. 2007-05-10 — — US disclosed
US-20070105819-A1 CB-1 modulating compounds and their use ACADIA PHARMACEUTICALS, INC. 2007-05-10 — — US disclosed
WO-2007047737-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE ACADIA PHARMACEUTICALS INC. (US) 2007-04-26 — — 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 (2 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-20070105819-A1 CB-1 modulating compounds and their use CNR1, CNR2, FAAH DRD2 751/4885DRD1 883/4885CNR1 1/4885
US-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE CNR1, CNR2, FAAH DRD2 751/4885DRD1 883/4885CNR1 1/4885

“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.