SCHEMBL5894995

SCHEMBL5894995

C=CC1C(=O)CCC12CCN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DDB1 Q16531 1/20 0.44
▸ CRBN Q96SW2 1/20 0.44
▸ USP2 O75604 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ GPR119 Q8TDV5 4/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ NAMPT P43490 6/20 0.38
▸ HPGD P15428 1/20 0.38
▸ EPHX2 P34913 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
SCHEMBL5896312 0.88 DDB1 (0.47) DDB1CRBNUSP2SMN1; SMN2GPR119
SCHEMBL23145355 0.79 USP2 (0.45) DDB1CRBNUSP2SMN1; SMN2GPR119
SCHEMBL31646257 0.78 DDB1 (0.40) DDB1CRBNUSP2SMN1; SMN2GPR119
SCHEMBL5897211 0.77 DDB1 (0.42) DDB1CRBNUSP2SMN1; SMN2GPR119
SCHEMBL31081976 0.75 DDB1 (0.41) DDB1CRBNUSP2SMN1; SMN2GPR119
SCHEMBL31646142 0.74 HPGD (0.40) DDB1CRBNGPR119KDM4EMAPT
SCHEMBL23145310 0.74 KDM4E (0.41) DDB1CRBNUSP2SMN1; SMN2GPR119
SCHEMBL22284182 0.74 GPR119 (0.42) DDB1CRBNUSP2SMN1; SMN2GPR119
SCHEMBL5895670 0.74 HPGD (0.41) DDB1CRBNUSP2SMN1; SMN2GPR119
SCHEMBL31645388 0.73 ROCK2 (0.39) DDB1CRBNGPR119KDM4EMAPT

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-7091211-B2 Cyclopentyl modulators of chemokine receptor activity MERCK & CO., INC. (US) 2006-08-15 — — US disclosed
US-20050070609-A1 Cyclopentyl modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. 2005-03-31 — — 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-20050070609-A1 Cyclopentyl modulators of chemokine receptor activity CCR5, CXCR1, ACKR3 DDB1 1167/4885CRBN 4573/4885USP2 4590/4885

“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