SCHEMBL16622221

SCHEMBL16622221

CC(C)(C)OC(=O)N1CCN(c2ccc(Br)c(CF)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
LMNA P02545 2/20 0.52
ALDH1A1 P00352 1/20 0.52
PDK2 Q15119 1/20 0.51
ESRRB O95718 1/20 0.48
ESR1 P03372 1/20 0.48
ESRRA P11474 1/20 0.48
ESRRG P62508 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CYP2C19 P33261 1/20 0.47
GPR119 Q8TDV5 8/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SUV39H2 Q9H5I1 2/20 0.46
NAMPT P43490 1/20 0.46
TSHR P16473 1/20 0.43

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
SCHEMBL28690324 0.92 LMNA (0.53) MAPTLMNAALDH1A1PDK2ESRRB
SCHEMBL28681685 0.87 MAPT (0.51) MAPTLMNAALDH1A1PDK2ESRRB
SCHEMBL20101709 0.84 LMNA (0.53) MAPTLMNAALDH1A1PDK2ESRRB
SCHEMBL13698727 0.84 LMNA (0.53) MAPTLMNAALDH1A1PDK2SMN1; SMN2
SCHEMBL29373833 0.84 MAPT (0.55) MAPTLMNAALDH1A1PDK2ESRRB
SCHEMBL2386743 0.84 MAPT (0.55) MAPTLMNAALDH1A1PDK2ESRRB
SCHEMBL24379385 0.83 MAPT (0.56) MAPTLMNAALDH1A1PDK2ESRRB
SCHEMBL12331686 0.83 MAPT (0.56) MAPTLMNAALDH1A1PDK2ESRRB
SCHEMBL30180045 0.83 MAPT (0.56) MAPTLMNAALDH1A1PDK2ESRRB
SCHEMBL1432479 0.82 PDK2 (0.54) MAPTLMNAALDH1A1PDK2ESRRB

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 3 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-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

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-20150166525-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR VAPB, VAPA, BET1 MAPT 1522/4885LMNA 3869/4885ALDH1A1 141/4885

“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.