SCHEMBL5894993

SCHEMBL5894993

CC(C)(C)OC(=O)N1CCC2(CCc3c2[nH][nH]c3=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
DDB1 Q16531 2/20 0.40
CRBN Q96SW2 2/20 0.40
USP30 Q70CQ3 1/20 0.40
TSHR P16473 2/20 0.39
ALOX15 P16050 1/20 0.39
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SPR P35270 2/20 0.37
NR1H2 P55055 1/20 0.37
CCR5 P51681 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
ATM Q13315 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HRH3 Q9Y5N1 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
SCHEMBL5895323 0.78 USP2 (0.47) KDM4EMAPTTHRBDDB1CRBN
SCHEMBL5895185 0.76 TSHR (0.39) DDB1CRBNUSP30TSHRALOX15
SCHEMBL24089120 0.74 USP2 (0.50) KDM4EMAPTTHRBDDB1CRBN
SCHEMBL2075898 0.74 KDM4E (0.45) KDM4EMAPTTHRBDDB1CRBN
SCHEMBL31566493 0.72 USP30 (0.50) DDB1CRBNUSP30TSHRALOX15
SCHEMBL31566998 0.72 USP30 (0.50) DDB1CRBNUSP30TSHRALOX15
SCHEMBL769742 0.72 USP2 (0.45) KDM4EMAPTTHRBDDB1CRBN
SCHEMBL4774216 0.72 USP2 (0.45) KDM4EMAPTTHRBDDB1CRBN
SCHEMBL20521260 0.72 USP30 (0.50) DDB1CRBNUSP30TSHRALOX15
SCHEMBL29329223 0.72 USP30 (0.38) DDB1CRBNUSP30TSHRALOX15

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 KDM4E 4279/4885MAPT 4825/4885THRB 2278/4885

“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.