SCHEMBL3351311

SCHEMBL3351311

CC(C)(C)C(O)c1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
KDM4E B2RXH2 2/20 0.44
TSHR P16473 2/20 0.44
CYP2C19 P33261 1/20 0.43
TP53 P04637 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
KCNA5 P22460 6/20 0.42
KCNH2 Q12809 1/20 0.42
ALDH1A1 P00352 1/20 0.41
KCNE1 P15382 2/20 0.40
MAPT P10636 1/20 0.40
CYP2D6 P10635 1/20 0.40
ABCB11 O95342 1/20 0.39
LMNA P02545 1/20 0.39
ESR1 P03372 1/20 0.39
ADRA2A P08913 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL29947474 1.00 SLC6A3 (0.45) SLC6A3SLC6A2SLC6A4KDM4ETSHR
SCHEMBL15114520 0.80 CYP1A2 (0.47) SLC6A3SLC6A2SLC6A4KDM4ETSHR
SCHEMBL21240438 0.80 SMN1; SMN2 (0.43) SLC6A3SLC6A2SLC6A4KDM4ETSHR
SCHEMBL507417 0.79 SLC6A2 (0.45) SLC6A3SLC6A2SLC6A4KDM4ETSHR
SCHEMBL2476939 0.78 SLC6A2 (0.48) SLC6A3SLC6A2SLC6A4KDM4ETSHR
SCHEMBL12142306 0.78 SLC6A2 (0.48) SLC6A3SLC6A2SLC6A4KDM4ETSHR
SCHEMBL23610049 0.77 CYP3A4 (0.48) SLC6A3SLC6A2SLC6A4KDM4ETSHR
SCHEMBL5960481 0.77 SLC6A2 (0.47) SLC6A3SLC6A2SLC6A4KDM4ETSHR
SCHEMBL7759775 0.77 CYP3A4 (0.48) SLC6A3SLC6A2SLC6A4KDM4ETSHR
SCHEMBL12725114 0.77 SLC6A2 (0.47) SLC6A3SLC6A2SLC6A4KDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4301468-B1 FGFR3 INHIBITOR COMPOUNDS LILLY CO ELI (US) 2025-09-03 EP disclosed
US-20250122196-A1 FGFR3 INHIBITOR COMPOUNDS ELI LILLY AND COMPANY 2025-04-17 US disclosed
US-12209086-B2 FGFR3 inhibitor compounds ELI LILLY AND COMPANY (US) 2025-01-28 US disclosed
US-20240190870-A1 FGFR3 INHIBITOR COMPOUNDS LOXO ONCOLOGY, INC. 2024-06-13 US disclosed
US-11878976-B2 FGFR3 inhibitor compounds ELI LILLY AND COMPANY (US) 2024-01-23 US disclosed
EP-4301468-A1 FGFR3 INHIBITOR COMPOUNDS Eli Lilly and Company (US) 2024-01-10 EP disclosed
CN-117120439-A FGFR3 inhibitor compounds 伊莱利利公司 2023-11-24 CN disclosed
US-20230095122-A1 FGFR3 INHIBITOR COMPOUNDS LOXO ONCOLOGY, INC. 2023-03-30 US disclosed
WO-2022187443-A1 FGFR3 INHIBITOR COMPOUNDS ELI LILLY AND COMPANY (US) 2022-09-09 WO disclosed
EP-3611164-A1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT Mitsui Chemicals Agro, Inc. (JP) 2020-02-19 EP disclosed
US-8735398-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-27 US disclosed
US-20130085147-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 US disclosed
US-8362020-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 US disclosed
WO-2012009000-A2 NOVEL FUSED PYRAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA S.A. (CH) 2012-01-19 WO disclosed
US-20110294819-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-12-01 US disclosed
US-7727997-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2010-06-01 US disclosed
US-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease ELAN PHARMACEUTICALS, INC. 2007-09-13 US disclosed
US-7176242-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2007-02-13 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 (8 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-20110294819-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 SLC6A3 3411/4885SLC6A2 3799/4885SLC6A4 3830/4885
US-20130085147-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 SLC6A3 3411/4885SLC6A2 3799/4885SLC6A4 3830/4885
US-11878976-B2 FGFR3 inhibitor compounds FGFR3, FGFR1, FGFR2 SLC6A3 2605/4885SLC6A2 3383/4885SLC6A4 3676/4885
US-12209086-B2 FGFR3 inhibitor compounds FGFR3, FGFR1, FGFR2 SLC6A3 2605/4885SLC6A2 3383/4885SLC6A4 3676/4885
US-20240190870-A1 FGFR3 INHIBITOR COMPOUNDS FGFR3, FGFR1, FGFR2 SLC6A3 2605/4885SLC6A2 3383/4885SLC6A4 3676/4885
US-20250122196-A1 FGFR3 INHIBITOR COMPOUNDS FGFR3, FGFR1, FGFR2 SLC6A3 2605/4885SLC6A2 3383/4885SLC6A4 3676/4885
US-20230095122-A1 FGFR3 INHIBITOR COMPOUNDS FGFR3, FGFR1, FGFR2 SLC6A3 2605/4885SLC6A2 3383/4885SLC6A4 3676/4885
US-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease BACE1, BACE2, APP SLC6A3 2600/4885SLC6A2 3328/4885SLC6A4 3873/4885

“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.