SCHEMBL771642

SCHEMBL771642

[CH2]CC1CCN(C2CCCC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.41
PHGDH O43175 1/20 0.39
MGLL Q99685 1/20 0.39
SLC18A3 Q16572 2/20 0.38
OPRM1 P35372 2/20 0.35
OPRL1 P41146 2/20 0.35
HTR6 P50406 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GRIN2B Q13224 1/20 0.33
DPP4 P27487 1/20 0.33

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
SCHEMBL27703209 0.95 HRH3 (0.38) HRH3PHGDHMGLLSLC18A3OPRM1
SCHEMBL4701914 0.90 GRIN2B (0.35) HRH3GRIN2B
SCHEMBL2123464 0.86 DPP4 (0.38) HRH3PHGDHMGLLSLC18A3OPRM1
SCHEMBL26025505 0.78 HRH3 (0.47) HRH3PHGDHMGLLSLC18A3OPRM1
SCHEMBL5868081 0.76 NCF1 (0.50) HRH3PHGDHMGLLSLC18A3OPRM1
SCHEMBL13181314 0.76 OPRL1 (0.42) HRH3PHGDHMGLLSLC18A3OPRM1
SCHEMBL772294 0.76 MEN1 (0.35) PHGDHMGLLMEN1KMT2AALDH1A1
SCHEMBL772540 0.76 MEN1 (0.35) PHGDHMGLLMEN1KMT2AALDH1A1
SCHEMBL772419 0.76 MEN1 (0.35) PHGDHMGLLMEN1KMT2AALDH1A1
SCHEMBL24146229 0.74 OPRL1 (0.45) HRH3PHGDHMGLLSLC18A3OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102153562-B Spiro-oxindole compounds and their uses as therapeutic agents XENON PHARMACEUTICALS INC 2015-05-13 CN claimed
CN-102153562-A Spiro-oxindole compounds and their uses as therapeutic agents XENON PHARMACEUTICALS INC 2011-08-17 CN claimed
US-20090176779-A1 PYRAZOLO[4,3-D]THIAZOLE DERIVATIVES, AND PREPARATION AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2009-07-09 US claimed
CN-101184761-A Spiro-indolone compounds and their use as therapeutic agents XENON PHARMACEUTICALS INC (CA) 2008-05-21 CN claimed
CN-102153562-B Spiro-oxindole compounds and their uses as therapeutic agents XENON PHARMACEUTICALS INC 2015-05-13 CN disclosed
CN-103271906-A Use of spiro-oxindole compounds as therapeutic agents XENON PHARMACEUTICALS INC 2013-09-04 CN disclosed
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
CN-102153562-A Spiro-oxindole compounds and their uses as therapeutic agents XENON PHARMACEUTICALS INC 2011-08-17 CN disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
EP-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 EP disclosed
CN-101631546-A Use of spiro-indolone compounds as therapeutic agents XENON PHARMACEUTICALS INC 2010-01-20 CN disclosed
EP-1719773-B1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC (JP) 2009-04-15 EP disclosed
CN-101184761-A Spiro-indolone compounds and their use as therapeutic agents XENON PHARMACEUTICALS INC (CA) 2008-05-21 CN disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
EP-1719773-A1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2006-11-08 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 (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-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 HRH3 4130/4885PHGDH 2971/4885MGLL 3945/4885
US-20090176779-A1 PYRAZOLO[4,3-D]THIAZOLE DERIVATIVES, AND PREPARATION AND THERAPEUTIC APPLICATION THEREOF TP53, PDK1, RB1 HRH3 1953/4885PHGDH 1691/4885MGLL 4823/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 HRH3 4130/4885PHGDH 2971/4885MGLL 3945/4885

“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.