SCHEMBL2106643

SCHEMBL2106643

COc1cc([C@@H](C)NC(C)=O)ccc1OC(C)=O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.52
TSHR P16473 1/20 0.51
LMNA P02545 1/20 0.49
ACACB O00763 3/20 0.49
NR3C1 P04150 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
ACHE P22303 1/20 0.48
JUN P05412 1/20 0.47
NFKB1 P19838 1/20 0.47
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL2106645 1.00 HPGD (0.54) HPGDSMN1; SMN2TSHRLMNAACACB
SCHEMBL1753779 0.84 ACACB (0.51) HPGDACACB
SCHEMBL24349245 0.83 TSHR (0.58) SMN1; SMN2TSHRNR3C1ACHEJUN
SCHEMBL19789855 0.81 POLB (0.54) HPGDSMN1; SMN2LMNAACACB
SCHEMBL15052901 0.81 HPGD (0.56) HPGDSMN1; SMN2LMNAACACBALDH1A1
SCHEMBL10148400 0.79 TSHR (0.54) SMN1; SMN2TSHRLMNANR3C1CA1
SCHEMBL31500690 0.78 HPGD (0.63) HPGDSMN1; SMN2CA1CA2ACHE
SCHEMBL27493711 0.78 HPGD (0.63) HPGDSMN1; SMN2CA1CA2ACHE
SCHEMBL31500691 0.78 HPGD (0.63) HPGDSMN1; SMN2CA1CA2ACHE
SCHEMBL4964245 0.78 TSHR (0.57) SMN1; SMN2TSHRNR3C1ACHEJUN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158650-B2 Substituted phenylmethyl bicyclocarboxyamide compounds PFIZER INC. (US) 2012-04-17 US disclosed
EP-2222631-B1 SUBSTITUTED PHENYLMETHYL BICYCLOCARBOXYAMIDE COMPOUNDS PFIZER (US) 2011-08-17 EP disclosed
US-20100087480-A1 SUBSTITUTED PHENYLMETHYL BICYCLOCARBOXYAMIDE COMPOUNDS PFIZER INC. 2010-04-08 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-20100087480-A1 SUBSTITUTED PHENYLMETHYL BICYCLOCARBOXYAMIDE COMPOUNDS TRPV1, P2RY1, TRPV2 HPGD 1716/4885SMN1; SMN2 1125/4885TSHR 3148/4885

“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.