SCHEMBL1432175

SCHEMBL1432175

CC(=O)N1CCN(c2ccc(C(F)(F)F)c(Cl)n2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.59
SLC6A9 P48067 1/20 0.51
SLC6A5 Q9Y345 1/20 0.51
MAP4K4 O95819 1/20 0.46
CXCR3 P49682 1/20 0.46
TRPV1 Q8NER1 2/20 0.45
EIF2AK4 Q9P2K8 1/20 0.44
GBA1 P04062 2/20 0.44
CNR2 P34972 1/20 0.43
MET P08581 1/20 0.43
XPO1 O14980 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LCAT P04180 1/20 0.42
CKS1B P61024 1/20 0.42
SKP1 P63208 1/20 0.42
SKP2 Q13309 1/20 0.42
ALK Q9UM73 2/20 0.41
ITGB2 P05107 2/20 0.41

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
SCHEMBL1686072 0.88 ADRB2 (0.60) ADRB2SLC6A9SLC6A5CXCR3TRPV1
SCHEMBL1931185 0.84 ADRB2 (0.53) ADRB2SLC6A9SLC6A5MAP4K4CXCR3
SCHEMBL27809035 0.79 ADRB2 (0.53) ADRB2SLC6A9SLC6A5CXCR3TRPV1
SCHEMBL23779626 0.78 ADRB2 (0.70) ADRB2SLC6A9SLC6A5CXCR3TRPV1
SCHEMBL12780912 0.78 ADRB2 (0.70) ADRB2SLC6A9SLC6A5CXCR3TRPV1
SCHEMBL3548316 0.76 LMNA (0.46) MAP4K4GBA1LCATCKS1BSKP1
SCHEMBL29388809 0.76 ADRB2 (0.97) ADRB2CXCR3MEN1KMT2ALCAT
SCHEMBL12763838 0.76 ADRB2 (0.67) ADRB2SLC6A9SLC6A5CXCR3CNR2
SCHEMBL906077 0.76 ADRB2 (0.97) ADRB2CXCR3MEN1KMT2ALCAT
SCHEMBL27981489 0.75 HRH3 (0.56) MAP4K4EIF2AK4METMEN1KMT2A

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
US-9603833-B2 Benzene or thiophene derivative and use thereof as VAP-1 inhibitor R-TECH UENO, LTD. (JP) 2017-03-28 US disclosed
US-9603833-B2 Benzene or thiophene derivative and use thereof as VAP-1 inhibitor R-TECH UENO, LTD. (JP) 2017-03-28 US disclosed
US-9603833-B2 Benzene or thiophene derivative and use thereof as VAP-1 inhibitor R-TECH UENO, LTD. (JP) 2017-03-28 US disclosed
EP-2886534-A1 Benzene or thiophene derivative and use thereof as VAP-1 inhibitor R-Tech Ueno, Ltd. (JP) 2015-06-24 EP disclosed
US-20150166525-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R TECH UENO LTD (JP) 2015-06-18 US disclosed
US-20150166525-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R TECH UENO LTD (JP) 2015-06-18 US disclosed
US-8999989-B2 Benzene or thiophene derivative and use thereof as VAP-1 inhibitor R-TECH UENO, LTD. (JP) 2015-04-07 US disclosed
US-8999989-B2 Benzene or thiophene derivative and use thereof as VAP-1 inhibitor R-TECH UENO, LTD. (JP) 2015-04-07 US disclosed
CN-102046601-A Benzene or thiophene derivative and use thereof as VAP-1 inhibitor R TECH UENO LTD 2011-05-04 CN disclosed
EP-2300430-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-Tech Ueno, Ltd. (JP) 2011-03-30 EP disclosed
US-20110059957-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-TECH UENO, LTD. (JP) 2011-03-10 US disclosed
US-20110059957-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-TECH UENO, LTD. (JP) 2011-03-10 US disclosed
WO-2009145360-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-TECH UENO, LTD. (JP) 2009-12-03 WO 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 (2 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-20150166525-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR VAPB, VAPA, BET1 ADRB2 789/4885SLC6A9 1356/4885SLC6A5 906/4885
US-20110059957-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR VAPB, VAPA, BET1 ADRB2 789/4885SLC6A9 1356/4885SLC6A5 906/4885

“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.