SCHEMBL8405636

SCHEMBL8405636

CCOC(=O)C1CC1c1ccc(Br)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 5/20 0.49
▸ KCNH2 Q12809 2/20 0.49
▸ KDM1B Q8NB78 1/20 0.49
▸ SLC9A1 P19634 1/20 0.44
▸ CA1 P00915 6/20 0.43
▸ CA2 P00918 6/20 0.43
▸ CA9 Q16790 6/20 0.43
▸ CA12 O43570 4/20 0.43
▸ KDM4E B2RXH2 3/20 0.42
▸ RCOR1 Q9UKL0 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL29970601 1.00 KDM1A (0.49) KDM1AKCNH2KDM1BSLC9A1CA1
SCHEMBL20073946 1.00 KDM1A (0.49) KDM1AKCNH2KDM1BSLC9A1CA1
SCHEMBL20065142 1.00 KDM1A (0.49) KDM1AKCNH2KDM1BSLC9A1CA1
SCHEMBL25831240 1.00 KDM1A (0.49) KDM1AKCNH2KDM1BSLC9A1CA1
SCHEMBL20074021 1.00 KDM1A (0.49) KDM1AKCNH2KDM1BSLC9A1CA1
SCHEMBL20065133 1.00 KDM1A (0.49) KDM1AKCNH2KDM1BSLC9A1CA1
SCHEMBL25831193 1.00 KDM1A (0.49) KDM1AKCNH2KDM1BSLC9A1CA1
SCHEMBL29970944 1.00 KDM1A (0.49) KDM1AKCNH2KDM1BSLC9A1CA1
SCHEMBL6901544 0.90 SLC9A1 (0.56) SLC9A1CA1CA2CA9CA12
SCHEMBL18272445 0.88 ALDH1A1 (0.47) KDM1ASLC9A1CA1CA2CA9

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3746444-B1 CYCLOALKYL SUBSTITUTED PYRAZOLOPYRIMIDINES HAVING ACTIVITY AGAINST RSV JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2023-09-27 — — EP disclosed
CN-116425754-A Aromatic heterobicyclic compounds and antiviral uses thereof 苏州爱科百发生物医药技术有限公司 2023-07-14 — — CN disclosed
US-11491157-B2 Cycloalkyl substituted pyrazolopyrimidines having activity against RSV Janssen Sciences Ireland Unlimited Company Co Cork, IE (IE) 2022-11-08 — — US disclosed
EP-3746444-A1 CYCLOALKYL SUBSTITUTED PYRAZOLOPYRIMIDINES HAVING ACTIVITY AGAINST RSV Janssen Sciences Ireland Unlimited Company (IE) 2020-12-09 — — EP disclosed
US-20200360387-A1 CYCLOALKYL SUBSTITUTED PYRAZOLOPYRIMIDINES HAVING ACTIVITY AGAINST RSV JANSSEN-CILAG (FR) 2020-11-19 — — US disclosed
CN-111670189-A Cycloalkyl-substituted pyrazolopyrimidines having activity on RSV 爱尔兰詹森科学公司 2020-09-15 — — CN disclosed
WO-2019149734-A1 CYCLOALKYL SUBSTITUTED PYRAZOLOPYRIMIDINES HAVING ACTIVITY AGAINST RSV Janssen Sciences Ireland Unlimited Company (IE) 2019-08-08 — — WO disclosed
US-20120129828-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC. 2012-05-24 — — US disclosed
WO-2009154780-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC. (US) 2009-12-23 — — 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 (3 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-20200360387-A1 CYCLOALKYL SUBSTITUTED PYRAZOLOPYRIMIDINES HAVING ACTIVITY AGAINST RSV ACE, ACE2, PTBP1 KDM1A 3168/4885KCNH2 1886/4885KDM1B 3491/4885
US-20120129828-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF S1PR1, S1PR5, S1PR2 KDM1A 2014/4885KCNH2 1285/4885KDM1B 2269/4885
US-11491157-B2 Cycloalkyl substituted pyrazolopyrimidines having activity against RSV ACE, ACE2, PTBP1 KDM1A 3024/4885KCNH2 1699/4885KDM1B 3355/4885

“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.

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