SCHEMBL5361429

SCHEMBL5361429

COC(=O)c1ccc(Cn2c(Nc3ccc(OC(F)(F)F)c(Br)c3)nc3cc(Cl)c(Cl)cc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 2/20 0.53
▸ TBXA2R P21731 2/20 0.53
▸ P2RX3 P56373 13/20 0.50
▸ KIF11 P52732 5/20 0.45

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
SCHEMBL5440812 0.85 P2RX3 (0.55) DRD2TBXA2RP2RX3KIF11
SCHEMBL5364326 0.80 DRD2 (0.64) DRD2TBXA2RP2RX3KIF11
SCHEMBL5439917 0.78 DRD2 (0.67) DRD2TBXA2RP2RX3KIF11
SCHEMBL5435578 0.75 DRD2 (0.58) DRD2TBXA2RP2RX3KIF11
SCHEMBL5364560 0.75 DRD2 (0.58) DRD2TBXA2RP2RX3KIF11
SCHEMBL5361822 0.74 GCGR (0.56) —
SCHEMBL5361825 0.74 GCGR (0.56) —
SCHEMBL4314290 0.69 NOTUM (0.63) —
SCHEMBL9198925 0.68 AGTR1 (0.78) DRD2TBXA2R
SCHEMBL10047980 0.67 DRD2 (0.68) DRD2TBXA2RP2RX3KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7301036-B2 Cyclic guanidines, compositions containing such compounds and methods of use MERCK & CO., INC. (US) 2007-11-27 — — US disclosed
US-20070105930-A1 Cyclic guanidines, compositions containing such compounds and methods of use MERCK SHARP & DOHME LLC 2007-05-10 — — 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-20070105930-A1 Cyclic guanidines, compositions containing such compounds and methods of use GCGR, GLP1R, GCG DRD2 1040/4885TBXA2R 35/4885P2RX3 228/4885

“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.

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