SCHEMBL7516299

SCHEMBL7516299

CC(C)(C)OC(=O)N1CCC(COCCCN2C(=O)c3ccccc3C2=O)CC1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
PKM P14618 1/20 0.49
ACHE P22303 1/20 0.47
GPR119 Q8TDV5 11/20 0.46
ALDH1A1 P00352 1/20 0.46
BRD4 O60885 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL6953531 0.90 ACHE (0.55) KDM4EPKMACHEGPR119ALDH1A1
SCHEMBL5475624 0.88 ACHE (0.53) KDM4EPKMACHEGPR119ALDH1A1
SCHEMBL31596884 0.87 GPR119 (0.53) KDM4EPKMACHEGPR119ALDH1A1
SCHEMBL29890980 0.87 ACHE (0.64) KDM4EPKMACHEGPR119BRD4
SCHEMBL8825578 0.87 ACHE (0.64) KDM4EPKMACHEGPR119BRD4
SCHEMBL23884184 0.86 ACHE (0.51) KDM4EPKMACHEGPR119BRD4
SCHEMBL30801958 0.83 DRD2 (0.49) KDM4EPKMALDH1A1
SCHEMBL6759982 0.83 KDM4E (0.55) KDM4EPKMACHEGPR119ALDH1A1
SCHEMBL30801925 0.83 DRD2 (0.49) KDM4EPKMACHEALDH1A1
SCHEMBL12635860 0.83 KDM4E (0.56) KDM4EPKMACHEGPR119BRD4

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 KDM4E 1758/4885PKM 3514/4885ACHE 4792/4885

“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.