SCHEMBL5961390

SCHEMBL5961390

CN1CCN(C/C=C/c2ccccc2)CC1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.75
ALDH1A1 P00352 3/20 0.63
MAPK1 P28482 5/20 0.62
LMNA P02545 3/20 0.62
CYP3A4 P08684 3/20 0.62
HIF1A Q16665 3/20 0.62
CYP1A2 P05177 3/20 0.62
CYP2D6 P10635 3/20 0.62
CYP2C9 P11712 3/20 0.62
GMNN O75496 1/20 0.62
ABCB11 O95342 1/20 0.62
CHRM2 P08172 1/20 0.62
CHRM4 P08173 1/20 0.62
HTR1A P08908 1/20 0.62
CHRM5 P08912 1/20 0.62
ADRA2A P08913 1/20 0.62
ADORA3 P0DMS8 1/20 0.62
GAA P10253 1/20 0.62
CHRM1 P11229 1/20 0.62
DRD2 P14416 1/20 0.62

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
SCHEMBL2579539 0.91 LMNA (0.72) SIGMAR1ALDH1A1MAPK1LMNACYP3A4
SCHEMBL5462606 0.88 LMNA (0.64) SIGMAR1ALDH1A1MAPK1LMNAGAA
SCHEMBL5462612 0.88 LMNA (0.64) SIGMAR1ALDH1A1MAPK1LMNAGAA
SCHEMBL14045655 0.86 ALDH1A1 (0.63) SIGMAR1ALDH1A1MAPK1LMNACYP3A4
SCHEMBL8091680 0.86 SIGMAR1 (1.00) SIGMAR1ALDH1A1MAPK1LMNACYP3A4
SCHEMBL8084551 0.86 SIGMAR1 (1.00) SIGMAR1ALDH1A1MAPK1LMNACYP3A4
SCHEMBL27580427 0.86 ALDH1A1 (0.63) SIGMAR1ALDH1A1MAPK1LMNACYP3A4
SCHEMBL8084554 0.86 SIGMAR1 (1.00) SIGMAR1ALDH1A1MAPK1LMNACYP3A4
SCHEMBL15759188 0.84 SIGMAR1 (0.54) SIGMAR1ALDH1A1MAPK1LMNACYP3A4
SCHEMBL11036914 0.83 LTA4H (0.77) SIGMAR1ALDH1A1MAPK1LMNACYP3A4

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160312253-A1 Compounds for Increasing Lipid Synthesis and Storage INVITROGEN CORPORATION 2016-10-27 US disclosed
US-20160158131-A1 Compositions and Methods for Stimulating Collagen Synthesis in the Skin AVON PRODUCTS, INC. (US) 2016-06-09 US disclosed
US-9289365-B2 Compositions and methods for stimulating collagen synthesis in the skin AVON PRODUCTS, INC. (US) 2016-03-22 US disclosed
US-9145410-B2 Pyrazolopyridines and analogs thereof 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-09-29 US disclosed
US-9145410-B2 Pyrazolopyridines and analogs thereof 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-09-29 US disclosed
US-20140081017-A1 Histone Deacetylase Inhibitors for Enhancing Activity of Antifungal Agents METHYLGENE INC. (CA) 2014-03-20 US disclosed
WO-2013062667-A1 COMPOSITIONS AND METHODS FOR STIMULATING COLLAGEN SYNTHESIS IN THE SKIN AVON PRODUCTS, INC. (US) 2013-05-02 WO disclosed
US-20130102606-A1 Compositions and Methods for Stimulating Collagen Synthesis in the Skin AVON PRODUCTS, INC. (US) 2013-04-25 US disclosed
US-20120121651-A1 PYRAZOLOPYRIDINES AND ANALOGS THEREOF 3M INNOVATIVE PROPERTIES COMPANY 2012-05-17 US disclosed
US-20120121651-A1 PYRAZOLOPYRIDINES AND ANALOGS THEREOF 3M INNOVATIVE PROPERTIES COMPANY 2012-05-17 US disclosed
US-20070259881-A1 Substituted Imidazo Ring Systems and Methods COLEY PHARMACEUTICAL GROUP, INC. 2007-11-08 US disclosed
EP-1492796-B1 SUBSTITUTED AMINO ISOXAZOLINE DERIVATIVES AND THEIR USE AS ANTI-DEPRESSANTS. JANSSEN PHARMACEUTICA NV (BE) 2007-09-05 EP disclosed
US-7265103-B2 Substituted amino isoxazoline derivatives and their use as anti-depressants JANSSEN PHARMACEUTICA NV. (BE) 2007-09-04 US disclosed
US-7265103-B2 Substituted amino isoxazoline derivatives and their use as anti-depressants JANSSEN PHARMACEUTICA NV. (BE) 2007-09-04 US disclosed
US-20070161641-A1 Novel heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2007-07-12 US disclosed
US-20070161641-A1 Novel heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2007-07-12 US disclosed
EP-1214292-B1 TYROSINE DERIVATIVES GENENTECH INC (US) 2007-06-13 EP disclosed
US-7186724-B2 Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2007-03-06 US disclosed
US-7186724-B2 Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2007-03-06 US disclosed
WO-2005113003-A2 METHOD FOR AUGMENTING B CELL DEPLETION GENENTECH, INC. (US) 2005-12-01 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 (7 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-20140081017-A1 Histone Deacetylase Inhibitors for Enhancing Activity of Antifungal Agents HDAC1, HDAC5, HDAC7 SIGMAR1 4048/4885ALDH1A1 1728/4885MAPK1 1434/4885
US-20160312253-A1 Compounds for Increasing Lipid Synthesis and Storage FASN, LIPC, SREBF2 SIGMAR1 3599/4885ALDH1A1 1121/4885MAPK1 3804/4885
US-20160158131-A1 Compositions and Methods for Stimulating Collagen Synthesis in the Skin COL14A1, COL2A1, COL1A1 SIGMAR1 4651/4885ALDH1A1 3671/4885MAPK1 2138/4885
US-20070259881-A1 Substituted Imidazo Ring Systems and Methods IL2, IL4, IRF3 SIGMAR1 3081/4885ALDH1A1 2134/4885MAPK1 3282/4885
US-20130102606-A1 Compositions and Methods for Stimulating Collagen Synthesis in the Skin COL14A1, COL2A1, COL1A1 SIGMAR1 4651/4885ALDH1A1 3671/4885MAPK1 2138/4885
US-20120121651-A1 PYRAZOLOPYRIDINES AND ANALOGS THEREOF IL4, IL4I1, IL2 SIGMAR1 3328/4885ALDH1A1 1406/4885MAPK1 1387/4885
US-20070161641-A1 Novel heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands DRD3, DRD2, HTR3C SIGMAR1 55/4885ALDH1A1 904/4885MAPK1 3972/4885

“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.