SCHEMBL12827554

SCHEMBL12827554

COC1(c2ccc(C(C)(C)C)cc2)CC1C(=O)N[C@H](C)c1ccc(C(=O)OSN)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.34
PDE2A O00408 1/20 0.33
HPGD P15428 2/20 0.33
ACACB O00763 1/20 0.32
LMNA P02545 1/20 0.31
GRIN2B Q13224 1/20 0.31

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
SCHEMBL12827343 0.92 PTGER4 (0.36) PDE2AHPGDACACB
SCHEMBL12827246 0.85 NR1H4 (0.34) NR1H4PDE2AHPGDACACBLMNA
SCHEMBL1474486 0.80 TRPV1 (0.43)
SCHEMBL12827095 0.80 PTGER4 (0.38) PDE2AHPGDACACB
SCHEMBL12827546 0.79 CHRNA7 (0.41) NR1H4HPGDACACBLMNA
SCHEMBL12827781 0.78 PTGER4 (0.38) PDE2AHPGDACACB
SCHEMBL12827339 0.77 HPGD (0.33) HPGD
SCHEMBL13632678 0.76 PDE2A (0.37) PDE2AHPGDACACB
SCHEMBL12827775 0.76 PDE2A (0.37) PDE2AHPGDACACB
SCHEMBL12827630 0.73 P2RX3 (0.35) HPGD

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-7915448-B2 Substituted sulfonylaminoarylmethyl cyclopropanecarboxamide as VR1 receptor antagonists PFIZER INC. (US) 2011-03-29 US disclosed
US-20100035880-A1 SUBSTITUTED SULFONYLAMINOARYLMETHYL CYCLOPROPANECARBOXAMIDE AS VR1 RECEPTOR ANTAGONISTS PFIZER INC 2010-02-11 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-20100035880-A1 SUBSTITUTED SULFONYLAMINOARYLMETHYL CYCLOPROPANECARBOXAMIDE AS VR1 RECEPTOR ANTAGONISTS CNR1, HVCN1, CNR2 NR1H4 662/4885PDE2A 3858/4885HPGD 3027/4885

“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.