SCHEMBL2201771

SCHEMBL2201771

COC(=O)c1cc(O[Si](C)(C)C(C)(C)C)ccc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.43
CA1 P00915 6/20 0.43
CA9 Q16790 6/20 0.43
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
PREP P48147 4/20 0.39
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 2/20 0.36
CYP3A4 P08684 1/20 0.36
PKM P14618 1/20 0.36
MEN1 O00255 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CA2 P00918 2/20 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
SCHEMBL30007012 1.00 CA12 (0.43) CA12CA1CA9CYP1A2CYP2C19
SCHEMBL20046200 0.88 CA1 (0.43) CA12CA1CA9CYP1A2CYP2C19
SCHEMBL3481137 0.86 TSHR (0.42) CA12CA1CA9KDM4EGAA
SCHEMBL7628586 0.85 CA12 (0.53) CA12CA1CA9CYP1A2CYP2C19
SCHEMBL7627705 0.84 MAPT (0.44) CA12CA1CA9CYP1A2CYP2C19
SCHEMBL6519025 0.84 KDM4E (0.50) CA12CA1CA9CYP1A2CYP2C19
SCHEMBL20294987 0.82 CA12 (0.41) CA12CA1CA9CYP1A2CYP2C19
SCHEMBL16857041 0.81 ALDH1A1 (0.53) CA12CA1CA9CYP1A2CYP2C19
SCHEMBL25370505 0.79 CA12 (0.41) CA12CA1CA9CYP1A2CYP2C19
SCHEMBL20231316 0.79 CA12 (0.41) CA12CA1CA9CYP1A2CYP2C19

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4323349-A1 ISOINDOLINONE AMIDE COMPOUNDS USEFUL TO TREAT DISEASES ASSOCIATED WITH GSPT1 Monte Rosa Therapeutics AG (CH) 2024-02-21 EP disclosed
US-20240051937-A1 ISOINDOLINONE AMIDE COMPOUNDS USEFUL TO TREAT DISEASES ASSOCIATED WITH GSPT1 MONTE ROSA THERAPEUTICS AG (CH) 2024-02-15 US disclosed
US-11857519-B2 Compounds and methods for the targeted degradation of enhancer of zeste homolog 2 polypeptide ARVINAS OPERATIONS, INC. (US) 2024-01-02 US disclosed
US-11857519-B2 Compounds and methods for the targeted degradation of enhancer of zeste homolog 2 polypeptide ARVINAS OPERATIONS, INC. (US) 2024-01-02 US disclosed
US-11857519-B2 Compounds and methods for the targeted degradation of enhancer of zeste homolog 2 polypeptide ARVINAS OPERATIONS, INC. (US) 2024-01-02 US disclosed
US-11730720-B2 ALK5 inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-08-22 US disclosed
US-11730720-B2 ALK5 inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-08-22 US disclosed
US-11730720-B2 ALK5 inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-08-22 US disclosed
US-20220378726-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ENHANCER OF ZESTE HOMOLOG 2 POLYPEPTIDE ARVINAS OPERATIONS, INC. 2022-12-01 US disclosed
WO-2022219412-A1 ISOINDOLINONE AMIDE COMPOUNDS USEFUL TO TREAT DISEASES ASSOCIATED WITH GSPT1 MONTE ROSA THERAPEUTICS AG (CH) 2022-10-20 WO disclosed
US-20090030010-A1 3-Amino-pyrazolo[3,4b]pyridines as inhibitors of protein tyrosine kinases, their production and use as pharmaceutical agents GENESYS CLOUD SERVICES, INC. 2009-01-29 US disclosed
US-20090030010-A1 3-Amino-pyrazolo[3,4b]pyridines as inhibitors of protein tyrosine kinases, their production and use as pharmaceutical agents GENESYS CLOUD SERVICES, INC. 2009-01-29 US disclosed
US-7354925-B2 Alpha aryl or heteroaryl methyl beta piperidino propanamide compounds as ORL1-receptor antagonists PFIZER INC. (US) 2008-04-08 US disclosed
US-7279486-B2 Alpha aryl or heteroaryl methyl beta piperidino propanoic acid compounds as ORL1-receptor antagonists PFIZER INC. (US) 2007-10-09 US disclosed
US-20070197500-A1 3-(2,3-Dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-yl)-N,N-dimethyl-2-(pyridin-2-ylmethyl)propanamide; opioid receptor-like 1 antagonist; reduced inhibitory activity at HERG potassium channel; analgesic; side effect reduction; neurpathic and other pain PFIZER, INC. 2007-08-23 US disclosed
EP-1732928-A2 ALPHA ARYL OR HETEROARYL METHYL BETA PIPERIDINO PROPANOIC ACID COMPOUNDS AS ORL1-RECEPTOR ANTAGONISTS Pfizer, Inc. (US) 2006-12-20 EP disclosed
EP-1732893-A2 ALPHA ARYL OR HETEROARYL METHYL BETA PIPERIDINO PROPANAMIDE COMPOUNDS AS ORL1-RECEPTOR ANTAGONIST Pfizer Japan, Inc. (JP) 2006-12-20 EP disclosed
US-20050277659-A1 Alpha aryl or heteroaryl methyl beta piperidino propanoic acid compounds as ORL1-receptor antagonists PFIZER JAPAN INC. (JP) 2005-12-15 US disclosed
WO-2005092895-A2 ALPHA ARYL OR HETEROARYL METHYL BETA PIPERIDINO PROPANOIC ACID COMPOUNDS AS ORL1-RECEPTOR ANTAGONISTS PFIZER JAPAN INC. (JP) 2005-10-06 WO disclosed
WO-2005092858-A2 ALPHA ARYL OR HETEROARYL METHYL BETA PIPERIDINO PROPANAMIDE COMPOUNDS AS ORL1-RECEPTOR ANTAGONIST PFIZER JAPAN INC. (JP) 2005-10-06 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 (7 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-20090030010-A1 3-Amino-pyrazolo[3,4b]pyridines as inhibitors of protein tyrosine kinases, their production and use as pharmaceutical agents MAP4K2, ABL1, MAP4K3 CA12 4776/4885CA1 4381/4885CA9 4368/4885
US-20050277659-A1 Alpha aryl or heteroaryl methyl beta piperidino propanoic acid compounds as ORL1-receptor antagonists OPRL1, OGFRL1, ORMDL3 CA12 4571/4885CA1 3389/4885CA9 3754/4885
US-20240051937-A1 ISOINDOLINONE AMIDE COMPOUNDS USEFUL TO TREAT DISEASES ASSOCIATED WITH GSPT1 GSPT2, GSPT1, NMT2 CA12 1581/4885CA1 2059/4885CA9 2026/4885
US-20220378726-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ENHANCER OF ZESTE HOMOLOG 2 POLYPEPTIDE CRBN, MDM2, VHL CA12 3916/4885CA1 2650/4885CA9 4682/4885
US-11730720-B2 ALK5 inhibitors ALK, ACVR1, ACVRL1 CA12 3199/4885CA1 4370/4885CA9 2336/4885
US-11857519-B2 Compounds and methods for the targeted degradation of enhancer of zeste homolog 2 polypeptide CRBN, MDM2, VHL CA12 3916/4885CA1 2650/4885CA9 4682/4885
US-20070197500-A1 3-(2,3-Dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-yl)-N,N-dimethyl-2-(pyridin-2-ylmethyl)propanamide; opioid receptor-like 1 antagonist; reduced inhibitory activity at HERG potassium channel; analgesic; side effect reduction; neurpathic and other pain OPRL1, OPRD1, OPRK1 CA12 4262/4885CA1 2870/4885CA9 4651/4885

“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.