SCHEMBL21258931

SCHEMBL21258931

OCC1(F)CCN(c2cncc(C(c3ccccc3)c3ccccc3)n2)CC1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 5/20 0.33
▸ CHRNA7 P36544 1/20 0.33
▸ VNN1 O95497 1/20 0.32
▸ OPRL1 P41146 1/20 0.32
▸ LRRK2 Q5S007 3/20 0.32
▸ SORD Q00796 2/20 0.32
▸ FFAR4 Q5NUL3 1/20 0.31
▸ HTR2C P28335 1/20 0.31
▸ TARDBP Q13148 1/20 0.31
▸ HCRTR1 O43613 1/20 0.31
▸ HCRTR2 O43614 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
SCHEMBL21258918 0.83 NPC1 (0.35) PTPN11CHRNA7VNN1FFAR4HCRTR1
SCHEMBL21258934 0.78 CKS1B (0.37) PTPN11CHRNA7
SCHEMBL21258881 0.77 VNN1 (0.33) PTPN11VNN1LRRK2SORDTARDBP
SCHEMBL21259003 0.76 PTPN11 (0.36) PTPN11VNN1LRRK2SORD
SCHEMBL21258879 0.74 KDM4E (0.53) PTPN11LRRK2SORDHTR2C
SCHEMBL23135163 0.73 TARDBP (0.37) PTPN11VNN1TARDBP
SCHEMBL21259010 0.72 PTPN11 (0.33) PTPN11LRRK2SORDTARDBP
SCHEMBL28705721 0.68 MAOB (0.51) CHRNA7SORD
SCHEMBL31382372 0.64 UBE2T (0.37) VNN1LRRK2SORD
SCHEMBL21258928 0.60 CDK2 (0.44) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 PTPN11 2006/4885CHRNA7 450/4885VNN1 3468/4885

“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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