SCHEMBL3452211

SCHEMBL3452211

[c]1ccccc1OC1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 1/20 0.41
BAZ2B Q9UIF8 1/20 0.41
PDE9A O76083 1/20 0.39
SYK P43405 1/20 0.35
LRRK2 Q5S007 3/20 0.32
HRH1 P35367 1/20 0.31
CACNB4 O00305 1/20 0.30
CACNA1A O00555 1/20 0.30
CACNA1G O43497 1/20 0.30
CACNG3 O60359 1/20 0.30
CACNA1F O60840 1/20 0.30
CACNA1H O95180 1/20 0.30
CACNB3 P54284 1/20 0.30
CACNA2D1 P54289 1/20 0.30
CACNG7 P62955 1/20 0.30
CACNA1B Q00975 1/20 0.30
CACNA1D Q01668 1/20 0.30
CACNB1 Q02641 1/20 0.30
CACNG1 Q06432 1/20 0.30
CACNB2 Q08289 1/20 0.30

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
SCHEMBL17610573 0.90 LRRK2 (0.35) KAT2BBAZ2BPDE9ALRRK2FFAR2
SCHEMBL4725113 0.90 LRRK2 (0.35) KAT2BBAZ2BPDE9ALRRK2FFAR2
SCHEMBL709427 0.87 HRH1 (0.35) HRH1
SCHEMBL232553 0.83 HRH1 (0.33) PDE9AHRH1
SCHEMBL676963 0.83 PDE9A (0.34) PDE9AHRH1
SCHEMBL6531967 0.83 KAT2B (0.33) KAT2BBAZ2BPDE9A
SCHEMBL6531596 0.82 PDE4D (0.33) KAT2BBAZ2BPDE9ALRRK2FFAR2
SCHEMBL20819721 0.81
SCHEMBL233125 0.81 PDE9A (0.36) PDE9AHRH1
SCHEMBL677024 0.81 PDE9A (0.36) PDE9AHRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3897644-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF Revolution Medicines, Inc. (US) 2021-10-27 EP claimed
CN-113498342-A Compounds involved in synergistic binding and uses thereof 锐新医药公司 2021-10-12 CN claimed
US-20200197391-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF Revolution Medicines, Inc. 2020-06-25 US claimed
WO-2020132597-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF Revolution Medicines, Inc. (US) 2020-06-25 WO claimed
US-7820704-B2 Substituted heteroaryl derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2010-10-26 US claimed
US-20080312271-A1 AZABENZIMIDAZOLYL COMPOUNDS PFIZER INC. 2008-12-18 US claimed
US-20080280933-A1 BENZIMIDAZOLYL COMPOUNDS EFREMOV IVAN 2008-11-13 US claimed
WO-2008012623-A1 BENZIMIDAZOLYL COMPOUNDS AS POTENTIATORS OF MGLUR2 SUBTYPE OF GLUTAMATE RECEPTOR PFIZER PRODUCTS INC. (US) 2008-01-31 WO claimed
WO-2008012622-A2 AZABENZIMIDAZOLYL COMPOUNDS AS POTENTIATORS OF MGLUR2 SUBTYPE OF GLUTAMATE RECEPTOR PFIZER PRODUCTS INC. (US) 2008-01-31 WO claimed
EP-1753735-A1 SUBSTITUTED THIAZOLE AND PYRIMIDINE DERIVATIVES AS MELANOCORTIN RECEPTOR MODULATORS Transtech Pharma, Inc. (US) 2007-02-21 EP claimed
US-20050261294-A1 Substituted heteroaryl derivatives, compositions, and methods of use VTVX HOLDINGS I LLC 2005-11-24 US claimed
WO-2005103022-A1 SUBSTITUTED THIAZOLE AND PYRIMIDINE DERIVATIVES AS MELANOCORTIN RECEPTOR MODULATORS TRANSTECH PHARMA, INC. (US) 2005-11-03 WO claimed
US-20240139185-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2024-05-02 US disclosed
US-11739070-B2 C5A receptor modulators IDORSIA PHARMACEUTICALS LTD. (CH) 2023-08-29 US disclosed
US-11685729-B2 C5a receptor modulators IDORSIA PHARMACEUTICALS LTD. (CH) 2023-06-27 US disclosed
EP-3897644-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF Revolution Medicines, Inc. (US) 2021-10-27 EP disclosed
WO-2008012623-A1 BENZIMIDAZOLYL COMPOUNDS AS POTENTIATORS OF MGLUR2 SUBTYPE OF GLUTAMATE RECEPTOR PFIZER PRODUCTS INC. (US) 2008-01-31 WO disclosed
EP-1753735-A1 SUBSTITUTED THIAZOLE AND PYRIMIDINE DERIVATIVES AS MELANOCORTIN RECEPTOR MODULATORS Transtech Pharma, Inc. (US) 2007-02-21 EP disclosed
US-20050261294-A1 Substituted heteroaryl derivatives, compositions, and methods of use VTVX HOLDINGS I LLC 2005-11-24 US disclosed
WO-2005103022-A1 SUBSTITUTED THIAZOLE AND PYRIMIDINE DERIVATIVES AS MELANOCORTIN RECEPTOR MODULATORS TRANSTECH PHARMA, INC. (US) 2005-11-03 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-20240139185-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF KRAS, NRAS, HRAS KAT2B 3000/4885BAZ2B 184/4885PDE9A 3007/4885
US-20080280933-A1 BENZIMIDAZOLYL COMPOUNDS PAICS, TMBIM6, ABCG2 KAT2B 1842/4885BAZ2B 998/4885PDE9A 163/4885
US-20200197391-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF KRAS, NRAS, HRAS KAT2B 3000/4885BAZ2B 184/4885PDE9A 3007/4885
US-20080312271-A1 AZABENZIMIDAZOLYL COMPOUNDS AZI2, PAICS, UGT2B7 KAT2B 343/4885BAZ2B 1288/4885PDE9A 88/4885
US-11685729-B2 C5a receptor modulators C5AR1, C3AR1, C5AR2 KAT2B 3609/4885BAZ2B 3034/4885PDE9A 1608/4885
US-20050261294-A1 Substituted heteroaryl derivatives, compositions, and methods of use MC5R, MC3R, MC4R KAT2B 1693/4885BAZ2B 4292/4885PDE9A 3050/4885
US-11739070-B2 C5A receptor modulators C5AR1, C3AR1, C5AR2 KAT2B 3465/4885BAZ2B 3373/4885PDE9A 1400/4885

“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.