SCHEMBL4583069

SCHEMBL4583069

CC1CCCN(c2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.52
TLR7 Q9NYK1 1/20 0.47
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43
PDK2 Q15119 1/20 0.43
FPR1 P21462 3/20 0.43
FPR2 P25090 3/20 0.43
AKR1C3 P42330 1/20 0.42
CYP3A4 P08684 1/20 0.42
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
PRKDC P78527 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
TRPA1 O75762 4/20 0.40
TP53 P04637 1/20 0.40
LIPE Q05469 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL14638305 1.00 NOTUM (0.52) NOTUMTLR7KDM4EHTTPDK2
SCHEMBL12895116 0.90 NOTUM (0.59) NOTUMPDK2AKR1C3CYP3A4CA12
SCHEMBL19012564 0.85 HRH3 (0.43) TLR7KDM4EHTTPDK2PRKDC
SCHEMBL19571014 0.83 NOTUM (0.49) NOTUMAKR1C3CYP3A4CA12CA2
SCHEMBL15383528 0.81 KDM4E (0.57) NOTUMKDM4EHTTPRKDCTP53
SCHEMBL31145170 0.81 KDM4E (0.57) NOTUMKDM4EHTTPRKDCTP53
SCHEMBL24501932 0.81 NOTUM (0.52) NOTUMFPR1FPR2AKR1C3CYP3A4
SCHEMBL14638309 0.81 NOTUM (0.52) NOTUMFPR1FPR2AKR1C3CYP3A4
SCHEMBL14650198 0.81 NOTUM (0.52) NOTUMFPR1FPR2AKR1C3CYP3A4
SCHEMBL21624735 0.81 NOTUM (0.52) NOTUMFPR1FPR2AKR1C3CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1903023-A1 Method for manufacturing arylamines Archimica GmbH (DE) 2008-03-26 EP disclosed
US-20080039633-A1 Process for preparing arylamines ARCHIMICA GMBH (DE) 2008-02-14 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-20080039633-A1 Process for preparing arylamines BRD4, AHR, BRD1 NOTUM 4211/4885TLR7 2151/4885KDM4E 2246/4885

“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.