SCHEMBL842001

SCHEMBL842001

CC(C)NCCCC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 1/20 0.33
ARG2 P78540 1/20 0.33
HRH4 Q9H3N8 2/20 0.32
HRH3 Q9Y5N1 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ADRB2 P07550 1/20 0.32
HTR1B P28222 1/20 0.31
NR2E1 Q9Y466 1/20 0.31

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
SCHEMBL11947206 0.92 HRH4 (0.35) ARG1ARG2HRH4HRH3KDM4E
SCHEMBL20812158 0.90 HRH4 (0.37) ARG1ARG2HRH4HRH3KDM4E
SCHEMBL14509576 0.90 HRH4 (0.37) ARG1ARG2HRH4HRH3KDM4E
SCHEMBL20812165 0.90 HRH4 (0.37) ARG1ARG2HRH4HRH3KDM4E
SCHEMBL13884349 0.90 HRH4 (0.37) ARG1ARG2HRH4HRH3KDM4E
SCHEMBL10226405 0.90 HRH4 (0.37) ARG1ARG2HRH4HRH3KDM4E
SCHEMBL13884361 0.90 HRH4 (0.37) ARG1ARG2HRH4HRH3KDM4E
SCHEMBL841264 0.83 ARG1 (0.34) ARG1ARG2
SCHEMBL23101977 0.80 ARG1 (0.38) ARG1ARG2HRH4HRH3KDM4E
SCHEMBL21350501 0.80 ARG1 (0.31) ARG1ARG2HRH4HRH3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024076672-A1 HETEROCYCLIC INHIBITORS OF KRAS G12C MUTANT PROTEINS AND USES THEREOF AMGEN INC. (US) 2024-04-11 WO disclosed
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-11-09 US disclosed
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-07-25 US disclosed
US-20220402950-A1 SUBSTITUTED BENZIMIDAZOLES AS PAD4 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2022-12-22 US disclosed
US-20220168433-A1 PROGRAMMABLE POLYMERIC DRUGS Sony Group Corporation (JP) 2022-06-02 US disclosed
US-20220047709-A1 DEGRADERS OF WEE1 KINASE DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-02-17 US disclosed
US-11247984-B2 Uracil containing compounds CV6 THERAPEUTICS (NI) LIMITED (GB) 2022-02-15 US disclosed
US-20210382058-A1 PATIENT SELECTION FOR TREATMENT OF MYC POSITIVE CANCERS WITH INDENOISOQUINOLINES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-12-09 US disclosed
US-11124485-B2 Deoxyuridine triphosphatase inhibitors containing cyclopropano linkage CV6 THERAPEUTICS (NI) LIMITED (GB) 2021-09-21 US disclosed
US-20210198280-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BTK VIA UBIQUITIN PROTEOSOME PATHWAY NURIX THERAPEUTICS, INC. 2021-07-01 US disclosed
US-20090312334-A1 Immunomodulating Heterocyclic Compounds MEDIGENE LIMITED (GB) 2009-12-17 US disclosed
US-7598247-B2 Immunomodulating heterocyclic compounds MEDIGENE LIMITED (GB) 2009-10-06 US disclosed
US-20090048300-A1 Heterocyclic Compounds S*BIO PTE LTD. (SG) 2009-02-19 US disclosed
US-20090048300-A1 Heterocyclic Compounds S*BIO PTE LTD. (SG) 2009-02-19 US disclosed
US-7449486-B2 Antiproliferative agents; anticancer agents; autoimmune disease; antiarthritic agents; graft versus host disease; inflammatory bowel disorders ARRAY BIOPHARMA INC. (US) 2008-11-11 US disclosed
US-7449486-B2 Antiproliferative agents; anticancer agents; autoimmune disease; antiarthritic agents; graft versus host disease; inflammatory bowel disorders ARRAY BIOPHARMA INC. (US) 2008-11-11 US disclosed
US-20080182992-A1 Antiproliferative agents; anticancer agents; antiinflammatry agents; restenosis; graft versus host disease; autoimmune disease; antiarthritic agents ARRAY BIOPHARMA, INC. 2008-07-31 US disclosed
US-20080045527-A1 Immunomodulating Heterocyclic Compounds MEDIGENE LIMITED (GB) 2008-02-21 US disclosed
US-7276505-B2 Immunomodulating heterocyclic compounds MEDIGENE LIMITED (GB) 2007-10-02 US disclosed
US-20070021428-A1 Immunomodulating heterocyclic compounds AVIDEX LIMITED (GB) 2007-01-25 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 (14 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-20210198280-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BTK VIA UBIQUITIN PROTEOSOME PATHWAY BTK, CBL, XIAP ARG1 4059/4885ARG2 4025/4885HRH4 3725/4885
US-20220168433-A1 PROGRAMMABLE POLYMERIC DRUGS CHRM1, PBRM1, CHRM2 ARG1 343/4885ARG2 603/4885HRH4 981/4885
US-20090048300-A1 Heterocyclic Compounds HDAC1, HDAC3, HDAC11 ARG1 3099/4885ARG2 1187/4885HRH4 282/4885
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders CFD, TFPI, CFH ARG1 1688/4885ARG2 2571/4885HRH4 107/4885
US-20220402950-A1 SUBSTITUTED BENZIMIDAZOLES AS PAD4 INHIBITORS PADI4, PADI1, PADI6 ARG1 286/4885ARG2 216/4885HRH4 1624/4885
US-20080182992-A1 Antiproliferative agents; anticancer agents; antiinflammatry agents; restenosis; graft versus host disease; autoimmune disease; antiarthritic agents KIF5B, KIF2C, KIFC1 ARG1 2596/4885ARG2 3177/4885HRH4 3855/4885
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH ARG1 1688/4885ARG2 2571/4885HRH4 107/4885
US-20090312334-A1 Immunomodulating Heterocyclic Compounds CD40, CD40LG, NGFR ARG1 12/4885ARG2 101/4885HRH4 17/4885
US-20220047709-A1 DEGRADERS OF WEE1 KINASE WEE1, WEE2, PPME1 ARG1 3964/4885ARG2 3728/4885HRH4 2655/4885
US-11124485-B2 Deoxyuridine triphosphatase inhibitors containing cyclopropano linkage DPYD, DUT, TYMP ARG1 4078/4885ARG2 2736/4885HRH4 4771/4885
US-11247984-B2 Uracil containing compounds UNG, DPYD, DUT ARG1 4085/4885ARG2 3540/4885HRH4 4564/4885
US-20080045527-A1 Immunomodulating Heterocyclic Compounds CD40, CD40LG, NGFR ARG1 12/4885ARG2 101/4885HRH4 17/4885
US-20070021428-A1 Immunomodulating heterocyclic compounds CD40, CD40LG, NGFR ARG1 15/4885ARG2 127/4885HRH4 19/4885
US-20210382058-A1 PATIENT SELECTION FOR TREATMENT OF MYC POSITIVE CANCERS WITH INDENOISOQUINOLINES MYC, MYCBP, MYCBP2 ARG1 4018/4885ARG2 3940/4885HRH4 3494/4885

“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.