SCHEMBL2295980

SCHEMBL2295980

O=C1CCC(c2ccc(I)cc2)C1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 6/20 0.50
PDE4A P27815 2/20 0.43
PDE4B Q07343 2/20 0.43
PDE4C Q08493 2/20 0.43
PDE4D Q08499 2/20 0.43
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
MPO P05164 1/20 0.38
SRD5A1 P18405 2/20 0.34
HRH3 Q9Y5N1 1/20 0.34
HPGD P15428 1/20 0.33
CTRB1 P17538 1/20 0.31
ESR1 P03372 1/20 0.31
GRIA4 P48058 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
SCHEMBL3703094 1.00 ESR2 (0.50) ESR2PDE4APDE4BPDE4CPDE4D
SCHEMBL3668278 0.89 ESR2 (0.50) ESR2PDE4APDE4BPDE4CPDE4D
SCHEMBL13154228 0.88 ESR2 (0.64) ESR2PDE4APDE4BPDE4CPDE4D
SCHEMBL2047764 0.80 ESR2 (0.50) ESR2PDE4APDE4BPDE4CPDE4D
SCHEMBL2150278 0.80 ESR2 (0.78) ESR2PDE4APDE4BPDE4CPDE4D
SCHEMBL7004274 0.80 ESR2 (0.50) ESR2PDE4APDE4BPDE4CPDE4D
SCHEMBL14144935 0.80 ESR2 (0.50) ESR2PDE4APDE4BPDE4CPDE4D
SCHEMBL444141 0.80 SRD5A1 (0.53) ESR2PDE4APDE4BPDE4CPDE4D
SCHEMBL2150282 0.80 ESR2 (0.78) ESR2PDE4APDE4BPDE4CPDE4D
SCHEMBL2046091 0.80 ESR2 (0.50) ESR2PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11701373-B2 Substituted bicyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2023-07-18 US disclosed
US-11701373-B2 Substituted bicyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2023-07-18 US disclosed
US-11701373-B2 Substituted bicyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2023-07-18 US disclosed
US-20220331346-A1 SUBSTITUTED BICYCLIC COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2022-10-20 US disclosed
US-11058696-B2 Substituted bicyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2021-07-13 US disclosed
US-11058696-B2 Substituted bicyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2021-07-13 US disclosed
EP-3183242-B1 SUBSTITUTED BICYCLIC COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-05-19 EP disclosed
US-20200281952-A1 SUBSTITUTED BICYCLIC COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-09-10 US disclosed
US-20200281952-A1 SUBSTITUTED BICYCLIC COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-09-10 US disclosed
US-10709719-B2 Substituted bicyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2020-07-14 US disclosed
US-20110245204-A1 CYCLOALKANE-CONTAINING SPHINGOSINE 1-PHOSPHATE AGONISTS UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2011-10-06 US disclosed
US-20110245204-A1 CYCLOALKANE-CONTAINING SPHINGOSINE 1-PHOSPHATE AGONISTS UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2011-10-06 US disclosed
US-8008286-B2 Method for treatment of neuropathic pain UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2011-08-30 US disclosed
US-7754703-B2 Cycloalkane-containing sphingosine 1-phosphate agonists UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2010-07-13 US disclosed
US-20090062238-A1 METHOD FOR TREATMENT OF NEUROPATHIC PAIN UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2009-03-05 US disclosed
EP-1986623-A2 METHOD FOR TREATMENT OF NEUROPATHIC PAIN UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2008-11-05 EP disclosed
US-20080249070-A1 Cycloalkane-Containing Sphingosine 1-Phospate Agonists UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2008-10-09 US disclosed
EP-1863463-A1 SPHINGOSINE 1-PHOSPHATE AGONISTS COMPRISING CYCLOALKANES AND 5-MEMBERED HETEROCYCLES SUBSTITUED BY AMINO AND PHENYL GROUPS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2007-12-12 EP disclosed
WO-2007089715-A2 METHOD FOR TREATMENT OF NEUROPATHIC PAIN UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2007-08-09 WO disclosed
WO-2006088944-A1 SPHINGOSINE 1- PHOS PHATE AGONISTS COMPRISING CYCLOALKANES AND 5 -MEMBERED HETEROCYCLES SUBSTITUTED BY AMINO AND PHENYL GROUPS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2006-08-24 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 (8 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-20110245204-A1 CYCLOALKANE-CONTAINING SPHINGOSINE 1-PHOSPHATE AGONISTS S1PR1, S1PR3, S1PR4 ESR2 2108/4885PDE4A 320/4885PDE4B 488/4885
US-20200281952-A1 SUBSTITUTED BICYCLIC COMPOUNDS S1PR1, S1PR3, S1PR2 ESR2 715/4885PDE4A 192/4885PDE4B 274/4885
US-20220331346-A1 SUBSTITUTED BICYCLIC COMPOUNDS S1PR1, S1PR3, S1PR2 ESR2 715/4885PDE4A 192/4885PDE4B 274/4885
US-11701373-B2 Substituted bicyclic compounds S1PR1, S1PR3, S1PR2 ESR2 715/4885PDE4A 192/4885PDE4B 274/4885
US-20090062238-A1 METHOD FOR TREATMENT OF NEUROPATHIC PAIN S1PR2, S1PR1, S1PR4 ESR2 1983/4885PDE4A 199/4885PDE4B 345/4885
US-11058696-B2 Substituted bicyclic compounds S1PR1, S1PR3, S1PR2 ESR2 715/4885PDE4A 192/4885PDE4B 274/4885
US-20080249070-A1 Cycloalkane-Containing Sphingosine 1-Phospate Agonists S1PR1, S1PR3, S1PR4 ESR2 2257/4885PDE4A 371/4885PDE4B 597/4885
US-10709719-B2 Substituted bicyclic compounds S1PR1, S1PR3, S1PR2 ESR2 715/4885PDE4A 192/4885PDE4B 274/4885

“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.