SCHEMBL633260

SCHEMBL633260

O=C1CCC(n2cc(C(F)(F)F)ccc2=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.40
CCRL2 O00421 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
OXTR P30559 1/20 0.33
KRAS P01116 2/20 0.32
SOS1 Q07889 2/20 0.32
PIM1 P11309 2/20 0.32
PDK1 Q15118 1/20 0.32
PDK2 Q15119 1/20 0.32
SRD5A1 P18405 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CYP1A2 P05177 1/20 0.31
BMPR1B O00238 1/20 0.31
BMPR1A P36894 1/20 0.31
ACVRL1 P37023 1/20 0.31
ACVR1 Q04771 1/20 0.31

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
SCHEMBL13110205 0.77 KCNH2 (0.36) TDP1OXTRKRASSOS1PIM1
SCHEMBL633749 0.75 MPO (0.41) BMPR1BBMPR1AACVRL1ACVR1
SCHEMBL634300 0.75 KDM4E (0.37) SRD5A1L3MBTL1KDM4ECYP1A2BMPR1B
SCHEMBL15119914 0.73 HSD11B1 (0.40) PDK1PDK2BMPR1BBMPR1AACVRL1
SCHEMBL15043729 0.70 BMPR1B (0.41) RAB9ABMPR1BBMPR1AACVRL1ACVR1
SCHEMBL6891029 0.67 HTR2C (0.59) DDB1CRBNCYP1A2
SCHEMBL633276 0.67 KDM5A (0.37) KDM4EKMT2A
SCHEMBL26365172 0.66 BMPR1B (0.35) CYP1A2BMPR1BBMPR1AACVRL1ACVR1
SCHEMBL631951 0.66 MAPK14 (0.35) DDB1CRBN
SCHEMBL7052356 0.64 GSK3A (0.40) TDP1L3MBTL1KDM4ENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2419418-B1 4-AZETIDINYL-1-HETEROATOM LINKED-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2015-04-15 EP disclosed
EP-2419418-B1 4-AZETIDINYL-1-HETEROATOM LINKED-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2015-04-15 EP disclosed
CN-102459226-B 4-azetidinyl-1-heteroatom linked-cyclohexane antagonists of ccr2 JANSSEN PHARMACEUTICA NV 2014-09-17 CN disclosed
US-8324186-B2 4-azetidinyl-1-heteroatom linked-cyclohexane antagonists of CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2012-12-04 US disclosed
US-8324186-B2 4-azetidinyl-1-heteroatom linked-cyclohexane antagonists of CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2012-12-04 US disclosed
US-8324186-B2 4-azetidinyl-1-heteroatom linked-cyclohexane antagonists of CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2012-12-04 US disclosed
CN-102459226-A 4-azetidinyl-1-heteroatom linked-cyclohexane antagonists of ccr2 JANSSEN PHARMACEUTICA NV 2012-05-16 CN disclosed
EP-2419418-A1 4-AZETIDINYL-1-HETEROATOM LINKED-CYCLOHEXANE ANTAGONISTS OF CCR2 Janssen Pharmaceutica, N.V. (BE) 2012-02-22 EP disclosed
WO-2010121036-A1 4-AZETIDINYL-1-HETEROATOM LINKED-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2010-10-21 WO disclosed
WO-2010121036-A1 4-AZETIDINYL-1-HETEROATOM LINKED-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2010-10-21 WO disclosed
US-20100267668-A1 4-AZETIDINYL-1-HETEROATOM LINKED-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2010-10-21 US disclosed
US-20100267668-A1 4-AZETIDINYL-1-HETEROATOM LINKED-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2010-10-21 US disclosed
US-20100267668-A1 4-AZETIDINYL-1-HETEROATOM LINKED-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2010-10-21 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 (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-20100267668-A1 4-AZETIDINYL-1-HETEROATOM LINKED-CYCLOHEXANE ANTAGONISTS OF CCR2 CCR2, CCR1, CXCR2 TDP1 4228/4885CCRL2 7/4885DDB1 1978/4885

“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.