SCHEMBL19664210

SCHEMBL19664210

CC[S+]([O-])c1cc(C2CC2)cnc1-c1nc2cc(C(F)(F)F)ccc2n1C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 4/20 0.38
DRD2 P14416 2/20 0.38
DRD4 P21917 2/20 0.38
HTR2B P41595 1/20 0.37
HTR6 P50406 1/20 0.37
PIK3CA P42336 1/20 0.36
PRKAA2 P54646 1/20 0.36
USP2 O75604 2/20 0.34
ACACB O00763 1/20 0.34
CARM1 Q86X55 1/20 0.34
MCHR1 Q99705 1/20 0.34
AGPAT2 O15120 1/20 0.33
CCR2 P41597 1/20 0.33
KCNH2 Q12809 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP11B2 P19099 1/20 0.32

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
SCHEMBL14678192 0.87 AGPAT2 (0.36) GRM2HTR2BHTR6PIK3CAAGPAT2
SCHEMBL22190184 0.86 CARM1 (0.33) CARM1
SCHEMBL15868318 0.83 TYK2 (0.36) GRM2DRD2DRD4HTR2BHTR6
SCHEMBL22036970 0.83 POLB (0.38) GRM2DRD2DRD4
SCHEMBL29431625 0.82 HTR2B (0.38) GRM2HTR2BHTR6PIK3CACARM1
SCHEMBL14684635 0.82 HTR2B (0.38) GRM2HTR2BHTR6PIK3CACARM1
SCHEMBL14677498 0.82 AGPAT2 (0.33) GRM2DRD2DRD4HTR2BHTR6
SCHEMBL9914987 0.82 AGPAT2 (0.35) GRM2HTR2BHTR6PIK3CAAGPAT2
SCHEMBL17986769 0.81 DRD2 (0.39) GRM2DRD2DRD4HTR2BHTR6
SCHEMBL17986770 0.81 GRM2 (0.39) GRM2DRD2DRD4HTR2BHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107207460-B Fused heterocyclic compound having cycloalkylpyridyl group or salt thereof, agricultural and horticultural insecticide containing the same, and method for using the same 日本农药株式会社 2020-09-15 CN disclosed
EP-3252046-B1 FUSED HETEROCYCLIC COMPOUND HAVING CYCLOALKYLPYRIDYL GROUP OR SALT THEREOF, AND AGRICULTURAL OR HORTICULTURAL INSECTICIDE CONTAINING SAID COMPOUND AND USE METHOD THEREFOR NIHON NOHYAKU CO LTD (JP) 2020-04-01 EP disclosed
US-10266552-B2 Condensed heterocyclic compound having cycloalkylpyridyl group or salt thereof, agricultural and horticultural insecticide comprising the compound, and method for using the insecticide NIHON NOHYAKU CO., LTD. (JP) 2019-04-23 US disclosed
US-20180002347-A1 CONDENSED HETEROCYCLIC COMPOUND HAVING CYCLOALKYLPYRIDYL GROUP OR SALT THEREOF, AGRICULTURAL AND HORTICULTURAL INSECTICIDE COMPRISING THE COMPOUND, AND METHOD FOR USING THE INSECTICIDE NIHON NOHYAKU CO., LTD. (JP) 2018-01-04 US disclosed
EP-3252046-A1 FUSED HETEROCYCLIC COMPOUND HAVING CYCLOALKYLPYRIDYL GROUP OR SALT THEREOF, AND AGRICULTURAL OR HORTICULTURAL INSECTICIDE CONTAINING SAID COMPOUND AND USE METHOD THEREFOR Nihon Nohyaku Co., Ltd. (JP) 2017-12-06 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-20180002347-A1 CONDENSED HETEROCYCLIC COMPOUND HAVING CYCLOALKYLPYRIDYL GROUP OR SALT THEREOF, AGRICULTURAL AND HORTICULTURAL INSECTICIDE COMPRISING THE COMPOUND, AND METHOD FOR USING THE INSECTICIDE DDT, HCN3, HCN1 GRM2 274/4885DRD2 529/4885DRD4 504/4885
US-10266552-B2 Condensed heterocyclic compound having cycloalkylpyridyl group or salt thereof, agricultural and horticultural insecticide comprising the compound, and method for using the insecticide DDT, HCN3, HCN1 GRM2 274/4885DRD2 529/4885DRD4 504/4885

“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.