SCHEMBL15004855

SCHEMBL15004855

O=C1Nc2cccc(F)c2C12CCC2

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 4/20 0.51
▸ TNKS2 Q9H2K2 4/20 0.51
▸ PGR P06401 9/20 0.46
▸ BACE1 P56817 1/20 0.39
▸ PDE7A Q13946 2/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ OPRM1 P35372 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ OPRL1 P41146 1/20 0.35
▸ HTR1A P08908 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ HTR7 P34969 1/20 0.34
▸ HTR6 P50406 1/20 0.34

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
SCHEMBL31472145 1.00 TNKS (0.51) TNKSTNKS2PGRBACE1PDE7A
SCHEMBL24481758 0.96 TNKS (0.51) TNKSTNKS2PGRBACE1PDE7A
SCHEMBL4719403 0.95 TNKS (0.50) TNKSTNKS2PGRBACE1PDE7A
SCHEMBL31472193 0.93 TNKS (0.50) TNKSTNKS2PGRBACE1PDE7A
SCHEMBL3866633 0.93 TNKS (0.50) TNKSTNKS2PGRBACE1PDE7A
SCHEMBL20954874 0.86 BACE1 (0.51) TNKSTNKS2PGRBACE1OPRM1
SCHEMBL15650376 0.85 TNKS (0.46) TNKSTNKS2PGRBACE1HDAC4
SCHEMBL16687077 0.80 PGR (0.50) TNKSTNKS2PGRBACE1PDE7A
SCHEMBL31591814 0.79 TNKS (0.51) TNKSTNKS2PGRBACE1PDE7A
SCHEMBL29076873 0.79 PGR (0.46) TNKSTNKS2PGRBACE1PDE7A

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
EP-2602254-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2017-06-14 — — EP disclosed
US-9090586-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-07-28 — — US disclosed
US-20130150344-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-13 — — US disclosed
EP-2602254-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2013-06-12 — — EP 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-20130150344-A1 HETEROCYCLIC COMPOUND PDE5A, PDE3A, PDE3B TNKS 3380/4885TNKS2 4045/4885PGR 3043/4885

“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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