SCHEMBL396677

SCHEMBL396677

CCCCCN1CCC(C(=O)O)CC1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.61
GNAI3 P08754 7/20 0.53
GNAO1 P09471 7/20 0.53
GNAI1 P63096 7/20 0.53
S1PR5 Q9H228 3/20 0.51
BCHE P06276 5/20 0.50
S1PR4 O95977 1/20 0.50
S1PR1 P21453 1/20 0.50
S1PR3 Q99500 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL9494162 0.98 KCNH2 (0.64) KCNH2GNAI3GNAO1GNAI1S1PR5
Hydrochloric Acid SCHEMBL6206412 0.98 KCNH2 (0.60) KCNH2GNAI3GNAO1GNAI1S1PR5
SCHEMBL9493891 0.98 KCNH2 (0.64) KCNH2GNAI3GNAO1GNAI1S1PR5
SCHEMBL31549854 0.98 KCNH2 (0.64) KCNH2GNAI3GNAO1GNAI1S1PR5
SCHEMBL6216002 0.98 KCNH2 (0.64) KCNH2GNAI3GNAO1GNAI1S1PR5
SCHEMBL9492760 0.98 KCNH2 (0.64) KCNH2GNAI3GNAO1GNAI1S1PR5
SCHEMBL31549845 0.98 KCNH2 (0.64) KCNH2GNAI3GNAO1GNAI1S1PR5
SCHEMBL31549853 0.98 KCNH2 (0.64) KCNH2GNAI3GNAO1GNAI1S1PR5
SCHEMBL6944812 0.94 KCNH2 (0.55) KCNH2GNAI3GNAO1GNAI1S1PR5
Sulfuric Acid SCHEMBL9493803 0.92 KCNH2 (0.58) KCNH2GNAI3GNAO1GNAI1S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970331-A1 SPIRO AZETIDINE ISOXAZOLE DERIVATIVES AND THEIR USE AS SSTR5 ANTAGONISTS Takeda Pharmaceutical Company Limited (JP) 2016-01-20 EP disclosed
CN-102356065-B Piperidine derivatives as NK3 receptor antagonists F. HOFFMANN-LA ROCHE AG (CH) 2014-10-01 CN disclosed
WO-2014142363-A1 SPIRO AZETIDINE ISOXAZOLE DERIVATIVES AND THEIR USE AS SSTR5 ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-09-18 WO disclosed
US-8324250-B2 Piperidine derivatives as NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-12-04 US disclosed
US-8314113-B2 Substituted dihydroquinazolines II AICURIS GMBH & CO. KG (DE) 2012-11-20 US disclosed
EP-2408745-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2012-01-25 EP disclosed
US-20100256126-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2010-10-07 US disclosed
WO-2010106081-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-09-23 WO disclosed
US-20070281953-A1 Substituted Dihydroquinazolines II BAYER HEALTHCARE AG (DE) 2007-12-06 US disclosed
EP-1768959-A2 HETERO ISONIPECOTIC MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-04 EP disclosed
WO-2006004793-A2 HETERO ISONIPECOTIC MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2006-01-12 WO disclosed
EP-0300462-B1 HETEROCYCLIC PEROXYCARBOXYLIC ACIDS AUSIMONT S.p.A. (IT) 1993-09-29 EP disclosed
US-5071584-A Storage stable, heat resistant AUSIMONT S.P.A. (IT) 1991-12-10 US disclosed
EP-0300462-A2 Heterocyclic peroxycarboxylic acids AUSIMONT S.p.A. (IT) 1989-01-25 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 (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-20100256126-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HTR3A, OPRL1, OPRK1 KCNH2 104/4885GNAI3 521/4885GNAO1 788/4885
US-20070281953-A1 Substituted Dihydroquinazolines II EIF2AK2, QDPR, IRF3 KCNH2 3979/4885GNAI3 179/4885GNAO1 2651/4885

“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.