SCHEMBL3186686

SCHEMBL3186686

CS(=O)(=O)N1CCc2cc(-c3noc(CC4CCN(C(=O)O)CC4)n3)ccc2C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 2/20 0.49
▸ CNR2 P34972 2/20 0.49
▸ KDM2B Q8NHM5 1/20 0.42
▸ ESR1 P03372 1/20 0.42
▸ ESR2 Q92731 1/20 0.42
▸ ALDH1A1 P00352 5/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ S1PR1 P21453 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ TSHR P16473 3/20 0.38
▸ RECQL P46063 1/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ KIT P10721 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ LDHA P00338 1/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ LMNA P02545 3/20 0.37
▸ HTT P42858 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ POLB P06746 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
SCHEMBL3176572 0.89 CNR1 (0.46) CNR1CNR2KDM2BESR1ESR2
SCHEMBL3180527 0.88 GPR119 (0.48) CNR1CNR2HDAC4
SCHEMBL13531825 0.86 CNR1 (0.49) CNR1CNR2KDM2BESR1ESR2
Hydrochloric Acid SCHEMBL3178628 0.86 CNR1 (0.48) CNR1CNR2KDM2BESR1ESR2
SCHEMBL3182464 0.85 ESR1 (0.43) KDM2BESR1ESR2ALDH1A1S1PR1
SCHEMBL3170718 0.82 CNR1 (0.47) CNR1CNR2KDM2BESR1ESR2
SCHEMBL3188470 0.81 GPR119 (0.47) CNR1CNR2HDAC4
SCHEMBL3188476 0.80 GPR119 (0.46) HDAC4
SCHEMBL3181559 0.75 GPR119 (0.40) KDM2BESR1ESR2S1PR1
SCHEMBL3188495 0.75 ESR1 (0.42) CNR1CNR2KDM2BESR1ESR2

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-20100022515-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2010-01-28 — — 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-20100022515-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY GPR119, GCGR, GPR65 CNR1 112/4885CNR2 120/4885KDM2B 3211/4885

“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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