SCHEMBL1993910

SCHEMBL1993910

O=C(c1ccnc(Cl)c1)N1CC2(CCNCC2)c2cccnc21

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.36
PROKR1 Q8TCW9 1/20 0.35
CRBN Q96SW2 2/20 0.35
AKT1 P31749 1/20 0.34
TACR3 P29371 1/20 0.34
GFER P55789 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 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
SCHEMBL10253494 0.86 NOTUM (0.44) AKT1
SCHEMBL1998171 0.83 GABRD (0.35) KCNH2PROKR1AKT1TACR3GFER
SCHEMBL1689732 0.81 NOTUM (0.51) PROKR1AKT1TACR3
Trifluoroacetic Acid SCHEMBL1689684 0.80 HDAC1 (0.42) AKT1
SCHEMBL19444822 0.79 GABRD (0.39) PROKR1TACR3GFERGABRDGABRA1
Hydrochloric Acid SCHEMBL2351254 0.78 AKT1 (0.42) PROKR1AKT1
SCHEMBL29640159 0.78 KCNH2 (0.52) KCNH2AKT1
SCHEMBL1997435 0.76 PROKR1 (0.40) KCNH2PROKR1TACR3GFER
SCHEMBL14675951 0.74 PDE4B (0.36) PROKR1AKT1
SCHEMBL6002678 0.73 KCNH2 (0.43) KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960401-B2 Spiropiperidine derivatives for controlling pests SYNGENTA CROP PROTECTION, INC. (US) 2011-06-14 US disclosed
EP-1694677-B1 SPIROPIPERIDINE DERIVATIVES FOR CONTROLLING PESTS SYNGENTA PARTICIPATIONS AG (CH) 2009-12-02 EP disclosed
US-20070135408-A1 Spiropiperidine derivatives for controlling pests SYNGENTA CROP PROTECTION, INC. 2007-06-14 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 (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-20070135408-A1 Spiropiperidine derivatives for controlling pests CHRM1, CHRM2, RER1 KCNH2 348/4885PROKR1 1330/4885CRBN 4542/4885

“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.