SCHEMBL21258696

SCHEMBL21258696

O=C(O)COCC1(F)CCN(c2cncc(N(c3ccccc3)c3cc(Cl)ccn3)n2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 2/20 0.38
▸ PTGIR P43119 8/20 0.35
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ PTPN11 Q06124 2/20 0.31
▸ OPRD1 P41143 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ HTR2A P28223 2/20 0.31
▸ HTR2C P28335 2/20 0.31
▸ HTR2B P41595 2/20 0.31
▸ FFAR2 O15552 1/20 0.31
▸ CNR1 P21554 2/20 0.31
▸ NR1H4 Q96RI1 1/20 0.31
▸ PTGDR Q13258 1/20 0.31
▸ CHRM4 P08173 1/20 0.31
▸ ADRB1 P08588 1/20 0.31
▸ HTR1A P08908 1/20 0.31
▸ CHRM5 P08912 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ CHRM3 P20309 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
SCHEMBL21258674 0.91 PTGIR (0.34) GRM5PTGIRKDM4EALDH1A1PTPN11
SCHEMBL21258729 0.90 GRM5 (0.34) GRM5OPRD1KCNH2CNR1
SCHEMBL21258721 0.90 GRM5 (0.34) GRM5OPRD1KCNH2CNR1
SCHEMBL21258959 0.89 PTGIR (0.38) PTGIRKDM4EALDH1A1HTR1ASIGMAR1
SCHEMBL21258923 0.89 CYP3A4 (0.36) PTGIRKDM4EALDH1A1CNR1PTGDR
SCHEMBL21258656 0.88 PTGIR (0.42) PTGIRKDM4EALDH1A1FFAR2CNR1
SCHEMBL21258877 0.88 PTGIR (0.37) GRM5PTGIRKCNH2HTR2AHTR2B
SCHEMBL21258940 0.88 PTGIR (0.35) PTGIRKDM4EALDH1A1PTPN11
SCHEMBL21258963 0.85 PTGIR (0.42) PTGIRALDH1A1KCNH2PTGDRSIGMAR1
SCHEMBL21258961 0.84 PTGIR (0.35) PTGIRKDM4EALDH1A1PTGDRHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210338665-A1 MEDICAL USE OF PROSTACYCLIN RECEPTOR AGONIST CHINESE PLA GENERAL HOSPITAL (CN) 2021-11-04 — — US disclosed
US-20210087168-A1 PROSTACYCLIN RECEPTOR AGONIST MEDSHINE DISCOVERY INC. (CN) 2021-03-25 — — US disclosed
EP-3750879-A1 PROSTACYCLIN RECEPTOR AGONIST Medshine Discovery Inc. (CN) 2020-12-16 — — EP disclosed
WO-2019154363-A1 PROSTACYCLIN RECEPTOR AGONIST 南京明德新药研发有限公司 2019-08-15 — — 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 (2 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-20210087168-A1 PROSTACYCLIN RECEPTOR AGONIST PTGIR, TBXA2R, PTGFR GRM5 234/4885PTGIR 1/4885KDM4E 4782/4885
US-20210338665-A1 MEDICAL USE OF PROSTACYCLIN RECEPTOR AGONIST PTGIR, CYP11B2, PDE8A GRM5 503/4885PTGIR 1/4885KDM4E 4473/4885

“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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