SCHEMBL5895287

SCHEMBL5895287

COc1nn(C)c2c1CCC21CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
ALOX15 P16050 1/20 0.39
ATM Q13315 1/20 0.37
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
ALDH1A1 P00352 1/20 0.34
ACACB O00763 2/20 0.34
ADORA1 P30542 1/20 0.34
USP30 Q70CQ3 1/20 0.34
CTSD P07339 1/20 0.33
CTSE P14091 1/20 0.33
BACE1 P56817 1/20 0.33
ROCK2 O75116 1/20 0.33

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
SCHEMBL5895776 0.86 TSHR (0.38) TSHRALOX15USP2SMN1; SMN2DDB1
SCHEMBL5896565 0.85 ALOX15 (0.35) TSHRALOX15ATMUSP2SMN1; SMN2
SCHEMBL5895338 0.83 GPR4 (0.37) TSHRALOX15USP2SMN1; SMN2DDB1
SCHEMBL5895185 0.77 TSHR (0.39) TSHRALOX15ATMUSP2SMN1; SMN2
SCHEMBL5895921 0.76 TSHR (0.38) TSHRALOX15ATMUSP2SMN1; SMN2
SCHEMBL5895569 0.74 TSHR (0.36) TSHRALOX15USP2SMN1; SMN2DDB1
SCHEMBL5896071 0.74 ALOX15 (0.36) TSHRALOX15USP2SMN1; SMN2DDB1
SCHEMBL5895808 0.73 GPR4 (0.37) TSHRALOX15USP2SMN1; SMN2DDB1
SCHEMBL5896118 0.72 TSHR (0.35) TSHRALOX15USP2SMN1; SMN2DDB1
SCHEMBL5895323 0.71 USP2 (0.47) TSHRALOX15ATMUSP2SMN1; SMN2

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 TSHR 1067/4885ALOX15 2537/4885ATM 4330/4885

“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.