SCHEMBL7515905

SCHEMBL7515905

C[C@@H](O)CC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.50
KDM4E B2RXH2 2/20 0.49
PKM P14618 1/20 0.49
RECQL P46063 1/20 0.48
EPHX1 P07099 1/20 0.48
MAPT P10636 2/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GPR119 Q8TDV5 5/20 0.46
USP2 O75604 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
FAAH O00519 1/20 0.44
NR1H2 P55055 1/20 0.44
THRB P10828 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
SCHEMBL1721266 1.00 HPGD (0.50) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL104996 0.89 HPGD (0.51) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL22284347 0.88 HPGD (0.46) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL24752950 0.87 HPGD (0.47) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL6129221 0.86 HPGD (0.49) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL20618515 0.86 HPGD (0.49) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL12061214 0.86 HPGD (0.49) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL23536805 0.86 HPGD (0.49) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL16936842 0.86 HPGD (0.49) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL1575153 0.86 HPGD (0.49) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.