SCHEMBL9911412

SCHEMBL9911412

CC(C)OCCN1CCC(O)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.45
KCNA3 P22001 1/20 0.41
SPHK1 Q9NYA1 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP2D6 P10635 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
HRH3 Q9Y5N1 3/20 0.36
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
ACHE P22303 1/20 0.36
WNT1 P04628 1/20 0.36
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL12872466 0.89 LTA4H (0.43) KDM1AKCNA3HRH3HRH2HRH1
SCHEMBL9911415 0.89 LTA4H (0.43) KDM1AKCNA3HRH3HRH2HRH1
SCHEMBL9911416 0.89 LTA4H (0.43) KDM1AKCNA3HRH3HRH2HRH1
SCHEMBL8501119 0.89 HRH3 (0.43) KDM1AKCNA3SPHK1MEN1ALDH1A1
SCHEMBL27359356 0.86 MAOB (0.44) KCNA3SPHK1HRH3HRH2HRH1
SCHEMBL22890977 0.84 KCNA3 (0.38) KDM1AKCNA3SPHK1MEN1ALDH1A1
SCHEMBL25467851 0.82 KDM1A (0.46) KDM1AWNT1GSK3BDYRK1A
SCHEMBL22924215 0.82 KDM1A (0.46) KDM1AHRH3WNT1GSK3BDYRK1A
SCHEMBL9911333 0.82 CARM1 (0.47) KDM1ACYP2D6KMT2AHRH3ACHE
SCHEMBL12793976 0.81 LTA4H (0.43) KDM1ACYP2D6HRH3ACHEWNT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11702429-B2 mTORC modulators and uses thereof AEOVIAN PHARMACEUTICALS, INC. (US) 2023-07-18 US disclosed
US-11702429-B2 mTORC modulators and uses thereof AEOVIAN PHARMACEUTICALS, INC. (US) 2023-07-18 US disclosed
US-20230013344-A1 MTORC MODULATORS AND USES THEREOF EVOTEC (FRANCE) SAS (FR) 2023-01-19 US disclosed
US-20230010358-A1 Spiro-Sulfonamide Derivatives As Inhibitors Of Myeloid Cell Leukemia-1 (MCL-1) Protein PRELUDE THERAPEUTICS, INCORPORATED 2023-01-12 US disclosed
US-11230557-B2 mTORC modulators and uses thereof AEOVIAN PHARMACEUTICALS, INC. (US) 2022-01-25 US disclosed
WO-2021195599-A1 MTORC1 MODULATORS AND USES THEREOF AEOVIAN PHARMACEUTICALS, INC. (US) 2021-09-30 WO disclosed
US-11130769-B2 Spiro-sulfonamide derivatives as inhibitors of myeloid cell leukemia-1 (MCL-1) protein PRELUDE THERAPEUTICS, INCORPORATED (US) 2021-09-28 US disclosed
US-11021492-B2 mTORC modulators and uses thereof AEOVIAN PHARMACEUTICALS, INC. (US) 2021-06-01 US disclosed
US-20210008041-A1 MTORC MODULATORS AND USES THEREOF AEOVIAN PHARMACEUTICALS, INC. 2021-01-14 US disclosed
US-20210002300-A1 MTORC MODULATORS AND USES THEREOF AEOVIAN PHARMACEUTICALS, INC. 2021-01-07 US disclosed
US-20200148705-A1 Spiro-Sulfonamide Derivatives As Inhibitors Of Myeloid Cell Leukemia-1 (MCL-1) Protein PRELUDE THERAPEUTICS, INCORPORATED 2020-05-14 US disclosed
US-20170137420-A1 PYRIDINO[1,2-A]PYRIMIDONE ANALOGUE USED AS P13K INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2017-05-18 US disclosed
US-8198458-B2 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-12 US disclosed
EP-1928236-B1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC (BM) 2011-11-23 EP disclosed
US-20090143370-A1 Non-nucleoside Reverse Transcriptase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-04 US disclosed
US-7517998-B2 Benzothiazole or benzothiazine derivative of dipyrido(2,3;b:2',3'-e) diazepin-6-one; viricide against human t-cell leukemia/lymphoma virus BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2009-04-14 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 (11 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-11702429-B2 mTORC modulators and uses thereof MTOR, RICTOR, RPTOR KDM1A 3869/4885KCNA3 4832/4885SPHK1 1672/4885
US-20210008041-A1 MTORC MODULATORS AND USES THEREOF MTOR, RICTOR, RPTOR KDM1A 3869/4885KCNA3 4832/4885SPHK1 1672/4885
US-11130769-B2 Spiro-sulfonamide derivatives as inhibitors of myeloid cell leukemia-1 (MCL-1) protein MCL1, BCL2A1, BCL2L1 KDM1A 1749/4885KCNA3 2945/4885SPHK1 515/4885
US-11230557-B2 mTORC modulators and uses thereof MTOR, RICTOR, RPTOR KDM1A 3869/4885KCNA3 4832/4885SPHK1 1672/4885
US-20170137420-A1 PYRIDINO[1,2-A]PYRIMIDONE ANALOGUE USED AS P13K INHIBITOR PIK3CA, PIK3CD, PIP5K1B KDM1A 954/4885KCNA3 1583/4885SPHK1 457/4885
US-20210002300-A1 MTORC MODULATORS AND USES THEREOF MTOR, RICTOR, RPTOR KDM1A 3869/4885KCNA3 4832/4885SPHK1 1672/4885
US-20230013344-A1 MTORC MODULATORS AND USES THEREOF MTOR, RICTOR, RPTOR KDM1A 3869/4885KCNA3 4832/4885SPHK1 1672/4885
US-20200148705-A1 Spiro-Sulfonamide Derivatives As Inhibitors Of Myeloid Cell Leukemia-1 (MCL-1) Protein MCL1, BCL2A1, BCL2L1 KDM1A 1749/4885KCNA3 2945/4885SPHK1 515/4885
US-20230010358-A1 Spiro-Sulfonamide Derivatives As Inhibitors Of Myeloid Cell Leukemia-1 (MCL-1) Protein MCL1, BCL2A1, BCL2L1 KDM1A 1749/4885KCNA3 2945/4885SPHK1 515/4885
US-11021492-B2 mTORC modulators and uses thereof MTOR, RICTOR, RPTOR KDM1A 3869/4885KCNA3 4832/4885SPHK1 1672/4885
US-20090143370-A1 Non-nucleoside Reverse Transcriptase Inhibitors RTF1, POLR1A, POLR1E KDM1A 776/4885KCNA3 4317/4885SPHK1 4071/4885

“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.