SCHEMBL879032

SCHEMBL879032

CCC(=O)CC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.50
KDM4E B2RXH2 2/20 0.49
PKM P14618 1/20 0.49
GLS O94925 2/20 0.48
RECQL P46063 1/20 0.48
EPHX1 P07099 1/20 0.48
USP2 O75604 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GPR119 Q8TDV5 4/20 0.45
FAAH O00519 1/20 0.44
NR1H2 P55055 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPN6 P29350 1/20 0.44

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
SCHEMBL7513230 0.88 HPGD (0.48) HPGDKDM4EPKMGLSRECQL
SCHEMBL15578101 0.88 HPGD (0.50) HPGDKDM4EPKMGLSRECQL
SCHEMBL843940 0.86 GLS (0.50) HPGDKDM4EPKMGLSRECQL
SCHEMBL20601390 0.84 HPGD (0.54) HPGDKDM4EPKMGLSRECQL
SCHEMBL584378 0.84 KDM4E (0.54) HPGDKDM4EPKMGLSRECQL
SCHEMBL844078 0.84 HPGD (0.53) HPGDKDM4EPKMGLSRECQL
SCHEMBL6608848 0.84 HPGD (0.53) HPGDKDM4EPKMGLSRECQL
SCHEMBL23111272 0.84 HPGD (0.47) HPGDKDM4EPKMGLSRECQL
SCHEMBL4243752 0.84 KDM4E (0.49) HPGDKDM4EPKMGLSRECQL
SCHEMBL12082 0.83 HPGD (0.55) HPGDKDM4EPKMRECQLEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1432707-B1 AZABICYCLIC-SUBSTITUTED FUSED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN CO LLC (US) 2012-03-28 EP disclosed
US-6455548-B2 FOR PROPHYLAXIS AND THERAPY OF ASTHMA, ALLERGIC RHINITIS, DERMATITIS, CONJUNCTIVITIS, ATHEROSCLEROSIS OR RHEUMATOID ARTHRITIS, INFECTION BY HIV, DELAYING OF THE ONSET OF AIDS MERCK & CO., INC. 2002-09-24 US disclosed
US-20020013348-A1 4-alkyl piperidinyl pyrrolidine modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. 2002-01-31 US disclosed
WO-2001064216-A1 4-ALKYL PIPERIDINYL PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2001-09-07 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-20020013348-A1 4-alkyl piperidinyl pyrrolidine modulators of chemokine receptor activity CCR1, CCR4, CCR3 HPGD 2019/4885KDM4E 1758/4885PKM 3514/4885

“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.