SCHEMBL21357488

SCHEMBL21357488

N#CC1(c2ccc3cc(C(=O)O)nn3c2)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP1A2 P05177 2/20 0.34
CACNA1H O95180 1/20 0.34
WDR5 P61964 1/20 0.33
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 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
SCHEMBL21357602 0.85 PDE4A (0.38) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL24446928 0.80 OPRD1 (0.35) CYP1A2CACNA1HOPRM1
SCHEMBL25326062 0.78 CYP1A2 (0.36) KMT2ACYP1A2CACNA1HOPRM1
SCHEMBL25323635 0.78 MAP4K4 (0.49) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL24446273 0.75 CYP1A2 (0.34) CYP1A2OPRM1
SCHEMBL21376361 0.74 MEN1 (0.33) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL23534260 0.72 PTGS1 (0.46) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL22726615 0.71 OPRM1 (0.37) CA12CA1CA2CA9OPRM1
SCHEMBL30485807 0.70 P4HTM (0.44) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL26120597 0.70 P4HTM (0.44) ALDH1A1MEN1NPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11414432-B2 Condensed bicyclic heterocyclic derivatives as pest control agents BAYER AKTIENGESELLSCHAFT (DE) 2022-08-16 US disclosed
EP-3765465-B1 CONDENSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER AG (DE) 2022-05-25 EP disclosed
EP-3765465-B1 CONDENSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER AG (DE) 2022-05-25 EP disclosed
US-20220033418-A1 HETEROCYCLENE DERIVATIVES AS PEST CONTROL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2022-02-03 US disclosed
US-20220033418-A1 HETEROCYCLENE DERIVATIVES AS PEST CONTROL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2022-02-03 US disclosed
EP-3849975-A1 HETEROCYCLENE DERIVATIVES AS PEST CONTROL AGENTS Bayer Aktiengesellschaft (DE) 2021-07-21 EP disclosed
US-20210037825-A1 CONDENSED BICYCLIC HETEROCYCLIC DERIVATIVES AS PEST CONTROL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2021-02-11 US disclosed
US-20210037825-A1 CONDENSED BICYCLIC HETEROCYCLIC DERIVATIVES AS PEST CONTROL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2021-02-11 US disclosed
EP-3765465-A1 CONDENSED BICYCLIC HETEROCYCLIC DERIVATIVES AS PEST CONTROL AGENTS Bayer Aktiengesellschaft (DE) 2021-01-20 EP disclosed
WO-2020053282-A1 HETEROCYCLENE DERIVATIVES AS PEST CONTROL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2020-03-19 WO disclosed
WO-2019175045-A1 CONDENSED BICYCLIC HETEROCYCLIC DERIVATIVES AS PEST CONTROL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2019-09-19 WO disclosed
WO-2019175045-A1 CONDENSED BICYCLIC HETEROCYCLIC DERIVATIVES AS PEST CONTROL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2019-09-19 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 (3 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-20220033418-A1 HETEROCYCLENE DERIVATIVES AS PEST CONTROL AGENTS DDT, H1-5, CYCS ALDH1A1 1220/4885MEN1 1022/4885NPC1 3843/4885
US-20210037825-A1 CONDENSED BICYCLIC HETEROCYCLIC DERIVATIVES AS PEST CONTROL AGENTS CCNB3, C1S, C1R ALDH1A1 1703/4885MEN1 748/4885NPC1 2538/4885
US-11414432-B2 Condensed bicyclic heterocyclic derivatives as pest control agents CCNB3, C1S, C1R ALDH1A1 1703/4885MEN1 748/4885NPC1 2538/4885

“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.