SCHEMBL1433332

SCHEMBL1433332

CC(C)(C)OC(=O)N1CCC(c2ccc(C=O)s2)CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
KDM4E B2RXH2 2/20 0.50
THRB P10828 1/20 0.50
GPR119 Q8TDV5 8/20 0.48
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47
PTPN6 P29350 1/20 0.47
NAMPT P43490 1/20 0.46
ALDH1A1 P00352 2/20 0.45
NPC1 O15118 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HPGD P15428 1/20 0.44
PKM P14618 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL13593454 0.83 MAPT (0.51) MAPTKDM4ETHRBGPR119PTPN2
SCHEMBL11946809 0.83 KDM4E (0.51) MAPTKDM4ETHRBGPR119PTPN2
SCHEMBL31283565 0.82 GPR119 (0.54) MAPTKDM4ETHRBGPR119PTPN2
SCHEMBL15376450 0.82 GPR119 (0.51) MAPTKDM4ETHRBGPR119PTPN2
SCHEMBL30779438 0.81 THRB (0.49) MAPTKDM4ETHRBGPR119PTPN2
SCHEMBL3460996 0.80 KDM4E (0.48) MAPTKDM4ETHRBGPR119PTPN2
SCHEMBL2103880 0.79 GPR119 (0.47) MAPTKDM4ETHRBGPR119PTPN2
SCHEMBL31283721 0.78 THRB (0.46) MAPTKDM4ETHRBGPR119PTPN2
SCHEMBL16965440 0.77 NAMPT (0.58) MAPTKDM4ETHRBGPR119PTPN2
SCHEMBL65161 0.77 LMNA (0.48) MAPTKDM4EGPR119NAMPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4573092-A1 2,3,4,9-TETRAHYDRO-1H-PYRIDO[3,4-B]INDOLE DERIVATIVES AS ESTROGEN RECEPTOR MODULATORS FOR THE TREATMENT OF CANCER Olema Pharmaceuticals, Inc. (US) 2025-06-25 EP disclosed
WO-2024039860-A1 2,3,4,9-TETRAHYDRO-1H-PYRIDO[3,4-B]INDOLE DERIVATIVES AS ESTROGEN RECEPTOR MODULATORS FOR THE TREATMENT OF CANCER OLEMA PHARMACEUTICALS, INC. (US) 2024-02-22 WO 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-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 MAPT 1522/4885KDM4E 1213/4885THRB 1296/4885
US-20110059957-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR VAPB, VAPA, BET1 MAPT 1522/4885KDM4E 1213/4885THRB 1296/4885

“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.