SCHEMBL5846752

SCHEMBL5846752

COC(=O)[C@H]1CCOc2ccc(CN)cc21

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.38
ENPP2 Q13822 1/20 0.37
LOXL2 Q9Y4K0 2/20 0.37
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
BDKRB1 P46663 1/20 0.35
TSHR P16473 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35

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
SCHEMBL6527466 1.00 PTGDR2 (0.38) PTGDR2ENPP2LOXL2POLBSMN1; SMN2
Hydrochloric Acid SCHEMBL5846745 0.99 PTGDR2 (0.37) PTGDR2ENPP2LOXL2POLBSMN1; SMN2
Hydrochloric Acid SCHEMBL5846749 0.99 PTGDR2 (0.37) PTGDR2ENPP2LOXL2POLBSMN1; SMN2
Hydrochloric Acid SCHEMBL6527463 0.99 PTGDR2 (0.37) PTGDR2ENPP2LOXL2POLBSMN1; SMN2
SCHEMBL6531275 0.84 SMN1; SMN2 (0.56) PTGDR2SMN1; SMN2TSHR
SCHEMBL6531271 0.84 SMN1; SMN2 (0.56) PTGDR2SMN1; SMN2TSHR
SCHEMBL5848110 0.82 STING1 (0.42) PTGDR2POLBSMN1; SMN2
SCHEMBL5848117 0.82 STING1 (0.42) PTGDR2POLBSMN1; SMN2
SCHEMBL5848113 0.82 STING1 (0.42) PTGDR2POLBSMN1; SMN2
SCHEMBL23705293 0.80 ADRA2A (0.42) PTGDR2SMN1; SMN2NPC1MAPTRAB9A

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-7034051-B2 Fused bicyclic carboxamide derivatives and methods of their use ADOLOR CORPORATION (US) 2006-04-25 US disclosed
US-20050054630-A1 Fused bicyclic carboxamide derivatives and methods of their use CUBIST PHARMACEUTICALS, INC. 2005-03-10 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-20050054630-A1 Fused bicyclic carboxamide derivatives and methods of their use PAICS, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CPS1 PTGDR2 1500/4885ENPP2 1342/4885LOXL2 4306/4885

“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.