SCHEMBL1002845

SCHEMBL1002845

CN1CC2=C(CC1=O)C1(CCN(C(=O)OC(C)(C)C)CC1)OC2

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AVPR1A P37288 3/20 0.39
▸ USP2 O75604 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ DDB1 Q16531 1/20 0.35
▸ CRBN Q96SW2 1/20 0.35
▸ FAAH O00519 1/20 0.35
▸ NR1H2 P55055 1/20 0.34
▸ ACACB O00763 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ GPR183 P32249 1/20 0.34
▸ NAMPT P43490 2/20 0.34
▸ USP30 Q70CQ3 1/20 0.34
▸ USP1 O94782 1/20 0.34

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
SCHEMBL4069310 0.93 AVPR1A (0.39) AVPR1AUSP2SMN1; SMN2DDB1CRBN
SCHEMBL4072383 0.85 AVPR1A (0.38) AVPR1AUSP2SMN1; SMN2DDB1CRBN
SCHEMBL4067697 0.79 CRBN (0.40) AVPR1AUSP2SMN1; SMN2DDB1CRBN
SCHEMBL4074130 0.78 CRBN (0.39) AVPR1AUSP2SMN1; SMN2DDB1CRBN
SCHEMBL21843465 0.77 USP2 (0.49) AVPR1AUSP2SMN1; SMN2DDB1CRBN
SCHEMBL17324893 0.74 SIGMAR1 (0.45) USP2SMN1; SMN2DDB1CRBNACACB
SCHEMBL31170164 0.70 USP30 (0.51) USP2SMN1; SMN2DDB1CRBNTSHR
SCHEMBL25967353 0.70 USP2 (0.43) USP2SMN1; SMN2ACACBTSHRGPR183
SCHEMBL22814430 0.70 USP2 (0.46) AVPR1AUSP2SMN1; SMN2DDB1CRBN
SCHEMBL16914415 0.70 USP2 (0.50) AVPR1AUSP2SMN1; SMN2DDB1CRBN

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-20110015198-A1 DIARYLMETHYLAMIDE DERIVATIVE HAVING MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISM BANYU PHARMACEUTICAL CO., INC. 2011-01-20 — — US disclosed
EP-2272841-A1 DIARYLMETHYLAMIDE DERIVATIVE HAVING ANTAGONISTIC ACTIVITY ON MELANIN-CONCENTRATING HORMONE RECEPTOR Banyu Pharmaceutical Co., Ltd. (JP) 2011-01-12 — — EP disclosed
EP-2072519-A1 DIARYL KETIMINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-06-24 — — EP 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-20110015198-A1 DIARYLMETHYLAMIDE DERIVATIVE HAVING MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISM MC1R, MCHR2, MCHR1 AVPR1A 29/4885USP2 1788/4885SMN1; SMN2 4140/4885

“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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