SCHEMBL1174545

SCHEMBL1174545

Cc1ccc(OBOc2ccc(C)cc2F)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.41
MRGPRX4 Q96LA9 1/20 0.39
ALDH1A1 P00352 3/20 0.38
CYP3A4 P08684 1/20 0.38
HTR1A P08908 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
NFE2L2 Q16236 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
RAB9A P51151 3/20 0.33
TUBB1 Q9H4B7 2/20 0.33
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33

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
SCHEMBL17439490 0.87 ACHE (0.41) ACHEMRGPRX4ALDH1A1CYP3A4HTR1A
SCHEMBL26493853 0.79 ACHE (0.46) ACHEMRGPRX4ALDH1A1CYP3A4HTR1A
SCHEMBL438800 0.77 ALDH1A1 (0.41) ALDH1A1CA9
SCHEMBL11883 0.77 ACHE (0.62) ACHEALDH1A1CYP3A4NFE2L2RAB9A
SCHEMBL15280170 0.77 ACHE (0.44) ACHEMRGPRX4ALDH1A1CYP3A4HTR1A
SCHEMBL2070649 0.77 ACHE (0.44) ACHEMRGPRX4ALDH1A1CYP3A4HTR1A
SCHEMBL25156760 0.76 ACHE (0.43) ACHEMRGPRX4ALDH1A1CYP3A4HTR1A
SCHEMBL14449407 0.76 ACHE (0.43) ACHEMRGPRX4ALDH1A1CYP3A4HTR1A
SCHEMBL8103876 0.76 CYP3A4 (0.43) ACHEMRGPRX4ALDH1A1CYP3A4HTR1A
SCHEMBL1277335 0.75 CA12 (0.48) ALDH1A1CYP3A4NFE2L2CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117062813-B Polycyclic compound and application thereof 四川汇宇制药股份有限公司 2026-05-19 CN disclosed
CN-118974020-A Substituted 3-aminoindazole derivatives as kinase inhibitors 内尔维亚诺医疗科学公司 2024-11-15 CN disclosed
US-20240182477-A1 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 2 AGONISTS AND METHODS OF USE VIGIL NEUROSCIENCE, INC. 2024-06-06 US disclosed
US-11912711-B2 Heterocyclic compounds as triggering receptor expressed on myeloid cells 2 agonists and methods of use AMGEN INC. (US) 2024-02-27 US disclosed
US-11884675-B2 Heterocyclic compounds as triggering receptor expressed on myeloid cells 2 agonists and methods of use AMGEN INC. (US) 2024-01-30 US disclosed
CN-112585139-B Naphthyridinone compounds as T cell activators 百时美施贵宝公司 2023-12-01 CN disclosed
CN-117062813-A Polycyclic compound and application thereof 四川汇宇制药股份有限公司 2023-11-14 CN disclosed
US-20230295169-A1 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 2 AGONISTS AND METHODS OF USE AMGEN INC. 2023-09-21 US disclosed
US-20230295170-A1 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 2 AGONISTS AND METHODS OF USE AMGEN INC. 2023-09-21 US disclosed
US-11608344-B2 Heterocyclic compounds as triggering receptor expressed on myeloid cells 2 agonists and methods of use AMGEN INC. (US) 2023-03-21 US disclosed
US-7579362-B2 Aza-bicycloalkyl ethers and their use as alpha7-nAChR agonists NOVARTIS AG (CH) 2009-08-25 US disclosed
US-20090149450-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CARA THERAPEUTICS, INC. (US) 2009-06-11 US disclosed
US-7517874-B2 Substituted imidazo[1,5-a][1,4]diazepines and imidazo[1,5-a]pyrazines as cannabinoid receptor agonists for the treatment of pain CARA THERAPEUTICS, INC. (US) 2009-04-14 US disclosed
US-20090054446-A1 AZA-BICYCLOALKYL ETHERS AND THEIR USE AS ALPHA7-NACHR AGONISTS NOVARTIS AG 2009-02-26 US disclosed
US-20080318935-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CARA THERAPEUTICS, INC. (US) 2008-12-25 US disclosed
WO-2008157751-A2 SUBSTITUTED IMIDAZOHETEROCYCLES CARA THERAPEUTICS, INC. (US) 2008-12-24 WO disclosed
US-20070249617-A1 Aza-bicycloalkyl ethers and their use as alpha7-nachr agonists NOVARTIS AG (CH) 2007-10-25 US disclosed
US-20060167002-A1 Aza-bicycloalkyl ethers and their use as alpha7-nachr agonists FEUERBACH DOMINIK 2006-07-27 US disclosed
EP-1537104-A1 AZA-BICYCLOALKYL ETHERS AND THEIR USE AS ALPHA7-NACHR AGONIST Novartis AG (CH) 2005-06-08 EP disclosed
WO-2004022556-A1 AZA-BICYCLOALKYL ETHERS AND THEIR USE AS ALPHA7-NACHR AGONIST NOVARTIS AG (CH) 2004-03-18 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 (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-20070249617-A1 Aza-bicycloalkyl ethers and their use as alpha7-nachr agonists CHRNA7, CHRNA1, CHRNE ACHE 40/4885MRGPRX4 339/4885ALDH1A1 1061/4885
US-20090149450-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CNR1, CNR2, TRPV1 ACHE 1439/4885MRGPRX4 73/4885ALDH1A1 1759/4885
US-20060167002-A1 Aza-bicycloalkyl ethers and their use as alpha7-nachr agonists CHRNA7, CHRNA1, CHRNE ACHE 29/4885MRGPRX4 329/4885ALDH1A1 1021/4885
US-20090054446-A1 AZA-BICYCLOALKYL ETHERS AND THEIR USE AS ALPHA7-NACHR AGONISTS CHRNA7, CHRNA1, CHRNE ACHE 40/4885MRGPRX4 339/4885ALDH1A1 1061/4885
US-20080318935-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CNR1, CNR2, TRPV1 ACHE 1439/4885MRGPRX4 73/4885ALDH1A1 1759/4885
US-20240182477-A1 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 2 AGONISTS AND METHODS OF USE MSR1, FPR2, CD14 ACHE 570/4885MRGPRX4 55/4885ALDH1A1 2654/4885
US-11912711-B2 Heterocyclic compounds as triggering receptor expressed on myeloid cells 2 agonists and methods of use MSR1, FPR2, CD14 ACHE 570/4885MRGPRX4 55/4885ALDH1A1 2654/4885
US-11608344-B2 Heterocyclic compounds as triggering receptor expressed on myeloid cells 2 agonists and methods of use MSR1, FPR2, CD14 ACHE 570/4885MRGPRX4 55/4885ALDH1A1 2654/4885
US-20230295169-A1 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 2 AGONISTS AND METHODS OF USE MSR1, FPR2, CD14 ACHE 570/4885MRGPRX4 55/4885ALDH1A1 2654/4885
US-20230295170-A1 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 2 AGONISTS AND METHODS OF USE MSR1, FPR2, CD14 ACHE 570/4885MRGPRX4 55/4885ALDH1A1 2654/4885
US-11884675-B2 Heterocyclic compounds as triggering receptor expressed on myeloid cells 2 agonists and methods of use MSR1, FPR2, CD14 ACHE 570/4885MRGPRX4 55/4885ALDH1A1 2654/4885

“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.