SCHEMBL628207

SCHEMBL628207

COc1ncccc1C1=CCC(=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.47
CCNT1 O60563 1/20 0.39
CDK9 P50750 1/20 0.39
ELANE P08246 1/20 0.39
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
PIK3CA P42336 2/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
S100A4 P26447 1/20 0.36
HKDC1 Q2TB90 1/20 0.36
PADI1 Q9ULC6 1/20 0.36
PADI3 Q9ULW8 1/20 0.36
PADI4 Q9UM07 1/20 0.36
PADI2 Q9Y2J8 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HRH4 Q9H3N8 1/20 0.35
KCNA3 P22001 1/20 0.35
APLNR P35414 1/20 0.35

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
SCHEMBL6965670 0.75 CCNT1 (0.45) CCNT1CDK9CA1CA2L3MBTL1
SCHEMBL20010720 0.73 ACVR1 (0.42) NPC1RAB9ACA1CA2
SCHEMBL16992066 0.70 PDE10A (0.46) CCNT1CDK9
SCHEMBL20010828 0.69 MAT2A (0.38) NPC1RAB9ACA1CA2
SCHEMBL630016 0.69 BTK (0.42) BTKELANENPC1RAB9ACA1
SCHEMBL3209524 0.69 FLT3 (0.40) CDK9L3MBTL1
SCHEMBL7554896 0.67 KDM4E (0.38) CCNT1CDK9L3MBTL1
SCHEMBL31040352 0.67 PDK4 (0.59)
SCHEMBL613538 0.66 POLB (0.46) CA1CA2
SCHEMBL6955733 0.66 KDM4E (0.36) NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2419417-B1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2015-03-25 EP disclosed
EP-2419417-B1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2015-03-25 EP disclosed
US-8269015-B2 4-azetidinyl-1-heteroaryl-cyclohexane antagonists of CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2012-09-18 US disclosed
US-8269015-B2 4-azetidinyl-1-heteroaryl-cyclohexane antagonists of CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2012-09-18 US disclosed
US-8269015-B2 4-azetidinyl-1-heteroaryl-cyclohexane antagonists of CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2012-09-18 US disclosed
EP-2419417-A1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANE ANTAGONISTS OF CCR2 Janssen Pharmaceutica, N.V. (BE) 2012-02-22 EP disclosed
WO-2010121011-A1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2010-10-21 WO disclosed
WO-2010121011-A1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2010-10-21 WO disclosed
US-20100267688-A1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2010-10-21 US disclosed
US-20100267688-A1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2010-10-21 US disclosed
US-20100267688-A1 4-AZETIDINYL-1-HETEROARYL-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-20100267688-A1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANE ANTAGONISTS OF CCR2 CCR2, CCR1, CCR5 BTK 2267/4885CCNT1 1626/4885CDK9 3319/4885

“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.