SCHEMBL1943770

SCHEMBL1943770

CC(C)(C)OC(=O)N1CCN(C(=O)Nc2ccccc2C(F)(F)F)CC1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.66
▸ KMT2A Q03164 2/20 0.66
▸ MAPT P10636 1/20 0.59
▸ KDM4E B2RXH2 1/20 0.58
▸ GAA P10253 1/20 0.58
▸ LMNA P02545 3/20 0.55
▸ POLB P06746 1/20 0.55
▸ TRPV1 Q8NER1 5/20 0.53
▸ RBP4 P02753 2/20 0.50
▸ NAMPT P43490 1/20 0.50
▸ MAPK1 P28482 1/20 0.48
▸ HTT P42858 1/20 0.48

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
SCHEMBL1815988 0.84 POLB (0.64) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL1222027 0.83 KMT2A (0.57) MEN1KMT2AMAPTKDM4EGAA
SCHEMBL70781 0.83 ALDH1A1 (0.56) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL6107814 0.81 HCAR2 (0.54) MEN1KMT2AMAPTKDM4ERBP4
SCHEMBL6106826 0.80 KDM4E (0.70) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL20818495 0.79 AKR1C3 (0.60) TRPV1RBP4
SCHEMBL31694435 0.79 AKR1C3 (0.60) TRPV1RBP4
SCHEMBL3599162 0.79 MAPT (0.68) MEN1KMT2AMAPTKDM4EPOLB
SCHEMBL13149626 0.78 CHRM2 (0.49) MEN1KMT2AMAPTKDM4EGAA
SCHEMBL25933 0.78 POLB (0.58) MEN1KMT2APOLB

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-8710224-B2 Heterocyclic compounds as CCR2B antagonists ASTRAZENECA AB (SE) 2014-04-29 — — US disclosed
US-20140038978-A1 HETEROCYCLIC COMPOUNDS AS CCR2B ANTAGONISTS ASTRAZENECA AB (SE) 2014-02-06 — — US disclosed
US-20120264762-A1 Heterocyclic Compounds as CCR2 Antagonists ASTRAZENECA AB (SE) 2012-10-18 — — US disclosed
US-20110136820-A1 Heterocyclic Compounds as CCR2 Antagonists ASTRAZENECA AB (SE) 2011-06-09 — — US disclosed
US-7906645-B2 Heterocyclic compounds as ccr2b antagonists ASTRAZENECA AB (SE) 2011-03-15 — — US disclosed
US-20090099156-A1 Heterocyclic Compounds as Ccr2b antagonists ASTRAZENECA AB (SE) 2009-04-16 — — US 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 (4 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-20120264762-A1 Heterocyclic Compounds as CCR2 Antagonists CCR2, CCR3, CXCR2 MEN1 4557/4885KMT2A 3450/4885MAPT 4740/4885
US-20110136820-A1 Heterocyclic Compounds as CCR2 Antagonists CCR2, CCR3, CXCR2 MEN1 4557/4885KMT2A 3450/4885MAPT 4740/4885
US-20140038978-A1 HETEROCYCLIC COMPOUNDS AS CCR2B ANTAGONISTS CCR2, CCR3, CXCR2 MEN1 4671/4885KMT2A 3297/4885MAPT 4668/4885
US-20090099156-A1 Heterocyclic Compounds as Ccr2b antagonists CCR2, CCR3, CXCR2 MEN1 4638/4885KMT2A 3262/4885MAPT 4643/4885

“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.

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