SCHEMBL632949

SCHEMBL632949

c1ccc2c(c1)cnn2C1CCC2(CC1)OCCO2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
DDB1 Q16531 1/20 0.45
CRBN Q96SW2 1/20 0.45
SCD O00767 1/20 0.41
C5AR1 P21730 4/20 0.40
PIK3CA P42336 5/20 0.39
MTOR P42345 5/20 0.39
PDE10A Q9Y233 1/20 0.37
KDM5A P29375 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3R1 P27986 1/20 0.36
SMG1 Q96Q15 1/20 0.36
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
TFPI2 P48307 1/20 0.35
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL17404486 0.81 DDB1 (0.53) TSHRDDB1CRBNSCDPDE10A
SCHEMBL25285417 0.81 DDB1 (0.48) DDB1CRBNSCDPDE10AKDM5A
SCHEMBL15440751 0.80 PDE10A (0.49) DDB1CRBNSCDPDE10APIK3CD
SCHEMBL31195616 0.80 PDE10A (0.49) DDB1CRBNSCDPDE10APIK3CD
Hydrochloric Acid SCHEMBL18399330 0.79 PDE10A (0.48) DDB1CRBNSCDPDE10APIK3CD
SCHEMBL29303151 0.78 DDB1 (0.50) TSHRDDB1CRBNSCDPDE10A
SCHEMBL31495775 0.78 DDB1 (0.50) TSHRDDB1CRBNSCDPDE10A
SCHEMBL29152986 0.77 DDB1 (0.49) TSHRDDB1CRBNSCDPDE10A
SCHEMBL30588431 0.75 DDB1 (0.51) DDB1CRBNSCDKDM5A
SCHEMBL2850238 0.75 DDB1 (0.51) DDB1CRBNSCDKDM5A

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-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
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
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 TSHR 1108/4885NPSR1 307/4885DDB1 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.