SCHEMBL2818883

SCHEMBL2818883

COC(=O)C1CC(O)CN1Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
KMT2A Q03164 1/20 0.50
MAPT P10636 2/20 0.48
FKBP1A P62942 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46

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
SCHEMBL1440329 1.00 CYP3A4 (0.50) CYP3A4KDM4EALDH1A1KMT2AMAPT
SCHEMBL5368566 1.00 CYP3A4 (0.50) CYP3A4KDM4EALDH1A1KMT2AMAPT
SCHEMBL4249938 1.00 CYP3A4 (0.50) CYP3A4KDM4EALDH1A1KMT2AMAPT
SCHEMBL15325590 1.00 CYP3A4 (0.50) CYP3A4KDM4EALDH1A1KMT2AMAPT
SCHEMBL19408855 1.00 CYP3A4 (0.50) CYP3A4KDM4EALDH1A1KMT2AMAPT
SCHEMBL24938939 1.00 CYP3A4 (0.50) CYP3A4KDM4EALDH1A1KMT2AMAPT
Hydrochloric Acid SCHEMBL6951431 0.99 CYP3A4 (0.49) CYP3A4KDM4EALDH1A1KMT2AMAPT
SCHEMBL9962426 0.89 MAPT (0.51) CYP3A4KDM4EALDH1A1KMT2AMAPT
SCHEMBL2919878 0.88 CYP3A4 (0.53) CYP3A4KDM4EALDH1A1KMT2AMAPT
SCHEMBL2919874 0.88 CYP3A4 (0.53) CYP3A4KDM4EALDH1A1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250134869-A1 Pyrrolo[2,3-d]pyrimidinyl, Pyrrolo[2,3-b]pyrazinyl and Pyrrolo[2,3-d]pyridinyl Acryla-mides PFIZER INC (US) 2025-05-01 US disclosed
US-12077533-B2 Pyrrolo[2,3-d]pyrimidinyl, pyrrolo[2,3-b]pyrazinyl and pyrrolo[2,3-d]pyridinyl acrylamides PFIZER INC. (US) 2024-09-03 US disclosed
US-20240246988-A1 BRUTON'S TYROSINE KINASE INHIBITORS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2024-07-25 US disclosed
US-11938114-B2 Bacterial efflux pump inhibitors RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2024-03-26 US disclosed
US-20230046457-A1 BRUTON'S TYROSINE KINASE INHIBITORS BIOGEN MA INC. 2023-02-16 US disclosed
US-20230009153-A1 PYRROLO[2,3-D]PYRIMIDINYL, PYRROLO[2,3-B]PYRAZINYL AND PYRROLO[2,3-D]PYRIDINYL ACRYLAMIDES PFIZER INC. (US) 2023-01-12 US disclosed
US-11111242-B2 Pyrrolo[2,3-d]pyrimidinyl, pyrrolo[2,3-b]pyrazinyl and pyrrolo[2,3-d]pyridinyl acrylamides PFIZER INC. (US) 2021-09-07 US disclosed
US-20210137881-A1 BACTERIAL EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERISTY OF NEW JERSEY (US) 2021-05-13 US disclosed
EP-3318565-B1 PYRROLO[2,3-D]PYRIMIDINYL, PYRROLO[2,3-B]PYRAZINYL AND PYRROLO[2,3-D]PYRIDINYL ACRYLAMIDES PFIZER (US) 2021-04-14 EP disclosed
US-20200399283-A1 BRUTON'S TYROSINE KINASE INHIBITORS VIRACTA THERAPEUTICS, INC. 2020-12-24 US disclosed
EP-2155672-A1 PROLINAMIDE DERIVATIVES AS NK3 ANTAGONISTS F. Hoffmann-Roche AG (CH) 2010-02-24 EP disclosed
US-7615669-B2 Process for producing fluoro-compounds TOSOH F-TECH, INC. (JP) 2009-11-10 US disclosed
US-7528136-B2 for the treatment of depression, pain, psychosis, Parkinson's disease, schizophrenia, anxiety and attention deficit hyperactivity disorder (ADHD); 2-{4-[(2S,4S)-1-benzyl-4-(2,4-difluoro-benzylamino)-pyrrolidine-2-carbonyl]-piperazin-1-yl}-benzonitrile HOFFMANN-LA ROCHE INC. (US) 2009-05-05 US disclosed
US-20090030228-A1 Process for producing fluoro-compounds TOSOH F-TECH, INC. (JP) 2009-01-29 US disclosed
WO-2008148689-A1 PROLINAMIDE DERIVATIVES AS NK3 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-12-11 WO disclosed
US-20080306086-A1 PROLINAMIDE DERIVATIVES AS NK3 ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2008-12-11 US disclosed
EP-1903021-A1 PROCESS FOR PRODUCTION OF FLUOROCOMPOUNDS Tosoh F-Tech, Inc. (JP) 2008-03-26 EP disclosed
WO-2003104249-A1 NOVEL LINKER FOR NUCLEOTIDES NEXGEN BIOTECHNOLOGIES, INC. (KR) 2003-12-18 WO disclosed
EP-0636133-A1 SUBSTITUTED 3-PYRROLIDINYLTHIO-CARBAPENEMS AS ANTIMICROBIAL AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-02-01 EP disclosed
CN-1082547-A Azabicyclic compounds FUJISAWA PHARMACEUTICAL CO (JP) 1994-02-23 CN 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 (10 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-20240246988-A1 BRUTON'S TYROSINE KINASE INHIBITORS BTK, ABL1, SYK CYP3A4 4327/4885KDM4E 1208/4885ALDH1A1 4783/4885
US-20230046457-A1 BRUTON'S TYROSINE KINASE INHIBITORS BTK, ABL1, SYK CYP3A4 4327/4885KDM4E 1208/4885ALDH1A1 4783/4885
US-11938114-B2 Bacterial efflux pump inhibitors ABCB11, ABCB1, SLC47A1 CYP3A4 621/4885KDM4E 4380/4885ALDH1A1 1075/4885
US-12077533-B2 Pyrrolo[2,3-d]pyrimidinyl, pyrrolo[2,3-b]pyrazinyl and pyrrolo[2,3-d]pyridinyl acrylamides ACR, PKD2, PGA5 CYP3A4 1574/4885KDM4E 2589/4885ALDH1A1 637/4885
US-11111242-B2 Pyrrolo[2,3-d]pyrimidinyl, pyrrolo[2,3-b]pyrazinyl and pyrrolo[2,3-d]pyridinyl acrylamides JAK2, JAK3, JAK1 CYP3A4 2269/4885KDM4E 1306/4885ALDH1A1 1079/4885
US-20210137881-A1 BACTERIAL EFFLUX PUMP INHIBITORS ABCB11, ABCB1, SLC47A1 CYP3A4 621/4885KDM4E 4380/4885ALDH1A1 1075/4885
US-20250134869-A1 Pyrrolo[2,3-d]pyrimidinyl, Pyrrolo[2,3-b]pyrazinyl and Pyrrolo[2,3-d]pyridinyl Acryla-mides JAK2, JAK3, JAK1 CYP3A4 2441/4885KDM4E 1075/4885ALDH1A1 1113/4885
US-20200399283-A1 BRUTON'S TYROSINE KINASE INHIBITORS BTK, ABL1, SYK CYP3A4 4327/4885KDM4E 1208/4885ALDH1A1 4783/4885
US-20080306086-A1 PROLINAMIDE DERIVATIVES AS NK3 ANTAGONISTS SLC6A3, OPRL1, OPRK1 CYP3A4 2026/4885KDM4E 1663/4885ALDH1A1 868/4885
US-20230009153-A1 PYRROLO[2,3-D]PYRIMIDINYL, PYRROLO[2,3-B]PYRAZINYL AND PYRROLO[2,3-D]PYRIDINYL ACRYLAMIDES JAK2, JAK3, JAK1 CYP3A4 2469/4885KDM4E 2089/4885ALDH1A1 1206/4885

“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.