SCHEMBL6095906

SCHEMBL6095906

CC(C)(C)OC(=O)N1CCC2(CC1)COCO2

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
RECQL P46063 1/20 0.43
GPR119 Q8TDV5 5/20 0.40
HPGD P15428 1/20 0.39
EPHX2 P34913 1/20 0.39
EPHX1 P07099 1/20 0.38
ATM Q13315 2/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL156363 0.89 USP2 (0.56) USP2SMN1; SMN2RECQLGPR119HPGD
SCHEMBL1700547 0.86 USP2 (0.53) USP2SMN1; SMN2RECQLGPR119HPGD
SCHEMBL1967958 0.83 USP2 (0.50) USP2SMN1; SMN2RECQLGPR119HPGD
SCHEMBL18053621 0.81 USP2 (0.59) USP2SMN1; SMN2RECQLGPR119HPGD
SCHEMBL8782075 0.81 HPGD (0.51) USP2SMN1; SMN2RECQLGPR119HPGD
SCHEMBL30984754 0.80 USP2 (0.50) USP2SMN1; SMN2RECQLGPR119HPGD
SCHEMBL1222835 0.80 USP2 (0.49) USP2SMN1; SMN2RECQLGPR119HPGD
SCHEMBL22814520 0.78 USP2 (0.47) USP2SMN1; SMN2RECQLGPR119HPGD
SCHEMBL1555865 0.78 USP2 (0.59) USP2SMN1; SMN2RECQLGPR119HPGD
SCHEMBL4278413 0.77 USP2 (0.54) USP2SMN1; SMN2RECQLGPR119HPGD

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7105507-B2 Cyclohexane derivatives and their use as therapeutic agents MERCK SHARP & DOHME LIMITED (GB) 2006-09-12 US disclosed
US-20030236250-A1 Cyclohexane derivatives and their use as therapeutic agents MERCK SHARP & DOHME LTD. (GB) 2003-12-25 US disclosed
EP-0869955-B1 N-ACYL-2-SUBSTITUTED-4-(BENZIMIDAZOLYL- OR IMIDAZOPYRIDINYL-SUBSTITUTED RESIDUES)-PIPERIDINES AS TACHYKININ ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2001-10-24 EP disclosed
US-6110939-A AS A SUBSTANCE P ANTAGONISTS TREATING TACHYKININ-MEDIATED DISEASE, ASTHMA, CENTRAL NERVOUS SYSTEM DISORDER JANSSEN PHARMACEUTICA N.V. (BE) 2000-08-29 US disclosed
EP-0869955-A1 N-ACYL-2-SUBSTITUTED-4-(BENZIMIDAZOLYL- OR IMIDAZOPYRIDINYL-SUBSTITUTED RESIDUES)-PIPERIDINES AS TACHYKININ ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 1998-10-14 EP disclosed
WO-1997024350-A1 N-ACYL-2-SUBSTITUTED-4-(BENZIMIDAZOLYL- OR IMIDAZOPYRIDINYL-SUBSTITUTED RESIDUES)-PIPERIDINES AS TACHYKININ ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 1997-07-10 WO 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-20030236250-A1 Cyclohexane derivatives and their use as therapeutic agents CNR2, CNR1, HTR1A USP2 4091/4885SMN1; SMN2 3052/4885RECQL 463/4885

“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.