SCHEMBL2188176

SCHEMBL2188176

O=C1CC2(CCN(C/C=C/c3ccc(Cl)cc3)CC2)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.42
LMNA P02545 2/20 0.42
CCR5 P51681 1/20 0.41
SIGMAR1 Q99720 2/20 0.41
EBP Q15125 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
LTA4H P09960 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
DHCR7 Q9UBM7 1/20 0.39
USP2 O75604 1/20 0.38

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
SCHEMBL4918521 0.89 EBP (0.41) LMNASIGMAR1EBPALDH1A1DHCR7
SCHEMBL2188938 0.84 LMNA (0.40) LMNASIGMAR1EBPALDH1A1MAPT
SCHEMBL2188337 0.84 LMNA (0.40) LMNASIGMAR1EBPALDH1A1MAPT
SCHEMBL2188331 0.84 LMNA (0.40) LMNASIGMAR1EBPALDH1A1MAPT
SCHEMBL12507887 0.84 SIGMAR1 (0.38) LMNASIGMAR1EBPLTA4HL3MBTL1
SCHEMBL1713596 0.74 SIGMAR1 (0.59) HRH3SIGMAR1ALDH1A1
SCHEMBL13181162 0.73 HRH3 (0.54) HRH3CCR5SIGMAR1EBPALDH1A1
SCHEMBL12507636 0.73 MCHR1 (0.38) LMNASIGMAR1EBPALDH1A1DHCR7
SCHEMBL5769219 0.72 AVPR1A (0.40) LMNACCR5SIGMAR1EBPLTA4H
SCHEMBL25358288 0.72 HRH3 (0.48) HRH3CCR5SIGMAR1ALDH1A1

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
US-20140031378-A1 INSECTICIDAL SPIRONINDANE DERIVATIVES SYNGENTA CROP PROTECTION LLC 2014-01-30 US disclosed
US-8354423-B2 Insecticidal spironindane derivatives SYNGENTA CROP PROTECTION LLC (US) 2013-01-15 US disclosed
EP-1697327-B1 INSECTICIDAL SPIROINDANE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2011-07-13 EP disclosed
US-20080306101-A1 Insecticidal Spironindane Derivatives SYNGENTA PARTICIPATIONS AG (CH) 2008-12-11 US 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-20080306101-A1 Insecticidal Spironindane Derivatives NR1D1, NR1D2, NR1I3 HRH3 467/4885LMNA 2860/4885CCR5 1832/4885
US-20140031378-A1 INSECTICIDAL SPIRONINDANE DERIVATIVES NR1D1, NR1D2, NR1I3 HRH3 467/4885LMNA 2860/4885CCR5 1832/4885

“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.