SCHEMBL4030683

SCHEMBL4030683

CC(C)(C)OC(=O)N1CCC(NC(=O)COc2ccc(Cl)cc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATF4 P18848 3/20 0.71
ALDH1A1 P00352 3/20 0.53
SSTR4 P31391 1/20 0.53
STS P08842 1/20 0.52
GAA P10253 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.50
POLB P06746 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CNR1 P21554 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
EPHX1 P07099 1/20 0.50
NPC1 O15118 1/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49

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
SCHEMBL19705226 0.88 ATF4 (0.55) ATF4ALDH1A1L3MBTL1POLBKMT2A
SCHEMBL21384356 0.86 ATF4 (0.68) ATF4ALDH1A1
SCHEMBL654137 0.85 LMNA (0.60) ATF4ALDH1A1STSL3MBTL1POLB
SCHEMBL23294709 0.85 ATF4 (0.56) ATF4ALDH1A1GAAKMT2A
SCHEMBL21390220 0.85 ATF4 (0.56) ATF4ALDH1A1GAAKMT2A
SCHEMBL23294711 0.85 ATF4 (0.56) ATF4ALDH1A1GAAKMT2A
SCHEMBL23294710 0.85 ATF4 (0.56) ATF4ALDH1A1GAAKMT2A
SCHEMBL19692540 0.83 ATF4 (1.00) ATF4ALDH1A1L3MBTL1POLBKMT2A
SCHEMBL4034038 0.83 ATF4 (0.81) ATF4ALDH1A1L3MBTL1POLBKMT2A
SCHEMBL20974774 0.83 ATF4 (0.53) ATF4ALDH1A1STSGAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1212299-B1 SUBSTITUTED PIPERIDINE COMPOUNDS USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA UK LTD (GB) 2009-04-08 EP disclosed
US-20050250792-A1 Substituted piperidine compounds useful as modulators of chemokine receptor activity MERRILL LYNCH CAPITAL, A DIVISION OF MERRILL LYNCH BUSINESS FINANCIAL SERVICES, INC. AS ADMINISTRATIVE AGENT 2005-11-10 US disclosed
US-6903085-B1 Substituted piperidine compounds useful as modulators of chemokine receptor activity ASTRAZENECA, AB (CH) 2005-06-07 US disclosed
EP-1212299-A1 SUBSTITUTED PIPERIDINE COMPOUNDS USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY AstraZeneca UK Limited (GB) 2002-06-12 EP disclosed
WO-2001014333-A1 SUBSTITUTED PIPERIDINE COMPOUNDS USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA UK LIMITED (GB) 2001-03-01 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-20050250792-A1 Substituted piperidine compounds useful as modulators of chemokine receptor activity CXCR4, CXCR1, CXCR3 ATF4 893/4885ALDH1A1 1952/4885SSTR4 449/4885

“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.