SCHEMBL5896071

SCHEMBL5896071

CCn1nc(C)c2c1C1(CC2)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
NAMPT P43490 6/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
ACACB O00763 2/20 0.36
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TLR8 Q9NR97 1/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
ADORA1 P30542 1/20 0.35
GPR119 Q8TDV5 1/20 0.35

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 0.88 GPR4 (0.37) ALOX15TSHROPRD1OPRK1NAMPT
SCHEMBL5896565 0.87 ALOX15 (0.35) ALOX15TSHROPRD1OPRK1NAMPT
SCHEMBL5895776 0.85 TSHR (0.38) ALOX15TSHRNAMPTACACBUSP2
Trifluoroacetic Acid SCHEMBL4791157 0.82 TSHR (0.35) ALOX15TSHROPRD1OPRK1NAMPT
SCHEMBL5895582 0.82 SPR (0.36) ALOX15TSHROPRD1OPRK1HDAC1
SCHEMBL5895541 0.79 TSHR (0.36) ALOX15TSHROPRD1OPRK1NAMPT
SCHEMBL5896118 0.78 TSHR (0.35) ALOX15TSHROPRD1OPRK1HDAC1
SCHEMBL5895165 0.77 PIK3CD (0.39) NAMPTACACBGPR119
SCHEMBL5895338 0.77 GPR4 (0.37) ALOX15TSHROPRD1OPRK1NAMPT
SCHEMBL5895543 0.76 TSHR (0.36) ALOX15TSHROPRD1OPRK1HDAC1

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 ALOX15 2537/4885TSHR 1067/4885OPRD1 129/4885

“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.