SCHEMBL5895291

SCHEMBL5895291

CCc1nn(CC)c2c1C1(CC2)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR4 P46093 4/20 0.37
USP30 Q70CQ3 1/20 0.35
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GPR119 Q8TDV5 3/20 0.34
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
GRM5 P41594 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
JAK2 O60674 2/20 0.33
JAK1 P23458 2/20 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
SCHEMBL5895808 0.82 GPR4 (0.37) GPR4USP2SMN1; SMN2GPR119DDB1
SCHEMBL5895543 0.80 TSHR (0.36) GPR4USP30USP2SMN1; SMN2DDB1
Trifluoroacetic Acid SCHEMBL4791157 0.77 TSHR (0.35) GPR4USP30GPR119ALOX15TSHR
SCHEMBL5896886 0.76 PIK3CD (0.39) ALOX15TSHROPRD1OPRK1HDAC1
SCHEMBL5895541 0.76 TSHR (0.36) GPR4USP30USP2SMN1; SMN2DDB1
SCHEMBL5896118 0.75 TSHR (0.35) GPR4USP2SMN1; SMN2GPR119DDB1
SCHEMBL5895338 0.74 GPR4 (0.37) GPR4USP2SMN1; SMN2GPR119DDB1
SCHEMBL5896071 0.74 ALOX15 (0.36) USP2SMN1; SMN2GPR119DDB1CRBN
SCHEMBL5895582 0.74 SPR (0.36) GPR4USP2SMN1; SMN2GPR119DDB1
SCHEMBL5896565 0.72 ALOX15 (0.35) USP2SMN1; SMN2DDB1CRBNALOX15

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 GPR4 57/4885USP30 4329/4885USP2 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.