SCHEMBL25528784

SCHEMBL25528784

CC1=CC2(CCN(C(=O)OC(C)(C)C)CC2)OC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ TSHR P16473 2/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ GPR119 Q8TDV5 3/20 0.40
▸ ACACB O00763 4/20 0.40
▸ ATM Q13315 1/20 0.39
▸ NR1H2 P55055 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CHRM2 P08172 1/20 0.38
▸ CHRM4 P08173 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ CHRM3 P20309 1/20 0.38

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
SCHEMBL25541363 0.86 USP2 (0.45) USP2SMN1; SMN2TSHRALOX15GPR119
SCHEMBL20396140 0.83 USP2 (0.42) USP2SMN1; SMN2TSHRALOX15GPR119
SCHEMBL20412573 0.80 GPR119 (0.40) USP2SMN1; SMN2GPR119
SCHEMBL19839770 0.80 SCD5 (0.47) TSHRALOX15GPR119ATMCHRM2
SCHEMBL20396153 0.79 USP30 (0.40) USP2SMN1; SMN2TSHRALOX15GPR119
SCHEMBL2422488 0.77 RORC (0.41) USP2SMN1; SMN2TSHRALOX15GPR119
SCHEMBL20412572 0.77 GRM5 (0.45) TSHRALOX15GPR119ACACBATM
SCHEMBL20395989 0.76 PDK2 (0.41) SMN1; SMN2TSHRALOX15GPR119ATM
SCHEMBL2649144 0.76 GPR119 (0.37) USP2SMN1; SMN2GPR119CHRM2CHRM4
SCHEMBL20395937 0.75 JAK2 (0.42) SMN1; SMN2GPR119

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-20230365594-A1 THIENOPYRROLE COMPOUNDS GILEAD SCIENCES, INC. 2023-11-16 — — US disclosed
US-11661431-B2 Thienopyrrole compounds GILEAD SCIENCES, INC. (US) 2023-05-30 — — 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 (2 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-20230365594-A1 THIENOPYRROLE COMPOUNDS SSB, TPMT, LCP2 USP2 3870/4885SMN1; SMN2 4502/4885TSHR 619/4885
US-11661431-B2 Thienopyrrole compounds SSB, TPMT, LCP2 USP2 3870/4885SMN1; SMN2 4502/4885TSHR 619/4885

“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.

Send feedback