SCHEMBL1433524

SCHEMBL1433524

CC(C)(C)OC(=O)N1CCN(c2ccc(CCc3csc(CCCO)c3)nc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 14/20 0.60
▸ GPR119 Q8TDV5 2/20 0.46
▸ WNT3A P56704 1/20 0.45
▸ ESRRB O95718 1/20 0.41
▸ ESR1 P03372 1/20 0.41
▸ ESRRA P11474 1/20 0.41
▸ ESRRG P62508 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 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
SCHEMBL1433161 0.88 AOC3 (0.63) AOC3GPR119WNT3AMAPTMEN1
SCHEMBL2069138 0.87 AOC3 (0.74) AOC3WNT3A
SCHEMBL1432556 0.83 AOC3 (0.57) AOC3GPR119WNT3AMAPTMEN1
SCHEMBL1432797 0.81 AOC3 (0.57) AOC3GPR119WNT3AMAPTMEN1
SCHEMBL1432960 0.80 AOC3 (0.57) AOC3GPR119WNT3AMAPTMEN1
SCHEMBL1433098 0.80 AOC3 (0.77) AOC3WNT3A
SCHEMBL1433108 0.79 AOC3 (0.65) AOC3GPR119WNT3A
SCHEMBL27809027 0.78 AOC3 (0.79) AOC3WNT3A
SCHEMBL3853508 0.78 HRH3 (0.57) GPR119WNT3AMAPTMEN1TSHR
SCHEMBL30564998 0.78 HRH3 (0.57) GPR119WNT3AMAPTMEN1TSHR

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 7 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
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-8999989-B2 Benzene or thiophene derivative and use thereof as VAP-1 inhibitor R-TECH UENO, LTD. (JP) 2015-04-07 — — US 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
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 AOC3 438/4885GPR119 3327/4885WNT3A 2931/4885
US-20110059957-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR VAPB, VAPA, BET1 AOC3 438/4885GPR119 3327/4885WNT3A 2931/4885

“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.

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