SCHEMBL633462

SCHEMBL633462

O=c1c(C(F)(F)F)cccn1C1CCC2(CC1)OCCO2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.38
PARP1 P09874 1/20 0.38
ALDH1A1 P00352 6/20 0.35
KDM4E B2RXH2 4/20 0.35
HSD17B10 Q99714 4/20 0.35
TACR1 P25103 1/20 0.35
KCNH2 Q12809 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
HTR2B P41595 2/20 0.34
GAA P10253 4/20 0.34
HPGD P15428 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
HSD11B1 P28845 2/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 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
SCHEMBL633698 0.80 ALDH1A1 (0.46) DHODHPARP1ALDH1A1KDM4EHSD17B10
SCHEMBL633645 0.76 ALDH1A1 (0.40) DHODHPARP1ALDH1A1KDM4EHSD17B10
SCHEMBL20689365 0.76 PARP1 (0.44) DHODHPARP1ALDH1A1KDM4EHSD17B10
SCHEMBL633430 0.75 GAA (0.43) DHODHPARP1ALDH1A1KDM4EHSD17B10
SCHEMBL21245965 0.73 DHODH (0.38) DHODHPARP1ALDH1A1KDM4EHSD17B10
SCHEMBL20689363 0.73 PARP1 (0.41) PARP1ALDH1A1KDM4EHSD17B10SMN1; SMN2
SCHEMBL13110205 0.72 KCNH2 (0.36) PARP1ALDH1A1KDM4EHSD17B10TACR1
SCHEMBL20697357 0.70 IRAK4 (0.39) ALDH1A1KDM4EHSD17B10GAAHPGD
SCHEMBL22977761 0.70 CDA (0.39) DHODHPARP1ALDH1A1KDM4EHSD17B10
SCHEMBL633539 0.66 PARP1 (0.36) PARP1ALDH1A1KDM4EGAAL3MBTL1

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-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
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
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 DHODH 1380/4885PARP1 1776/4885ALDH1A1 576/4885

“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.