SCHEMBL17145014

SCHEMBL17145014

CCN(C(=O)c1ccccc1C(F)(F)F)c1ccn(-c2ncc(F)cc2F)n1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 5/20 0.38
▸ CACNA2D1 P54289 2/20 0.36
▸ GRIN1 Q05586 1/20 0.36
▸ GAA P10253 2/20 0.36
▸ MCOLN3 Q8TDD5 1/20 0.36
▸ NPSR1 Q6W5P4 3/20 0.36
▸ MAPK14 Q16539 1/20 0.35
▸ POLB P06746 3/20 0.35
▸ LMNA P02545 1/20 0.35
▸ GPBAR1 Q8TDU6 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HCRTR1 O43613 1/20 0.35
▸ HCRTR2 O43614 1/20 0.35
▸ OPRM1 P35372 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ CTNNB1 P35222 1/20 0.34
▸ WNT3A P56704 1/20 0.34
▸ NTRK1 P04629 1/20 0.34

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
SCHEMBL15640068 0.75 PTGES (0.44) GAALMNAALDH1A1TP53
SCHEMBL17064210 0.71 PTGES (0.41) GAALMNATP53
SCHEMBL16463188 0.67 HTT (0.55) GAAMCOLN3NPSR1POLBGPBAR1
SCHEMBL15639435 0.65 PTGES (0.44) GAALMNATP53
SCHEMBL4469871 0.64 TSHR (0.50) GAALMNAALDH1A1TP53CTNNB1
SCHEMBL29571767 0.63 PTGES (0.41) GAALMNATP53
SCHEMBL15638844 0.63 PTGES (0.41) GAALMNATP53
SCHEMBL16463131 0.61 CYP3A4 (0.46) GPBAR1TP53
SCHEMBL16465413 0.61 KCNA5 (0.40) GAANPSR1LMNAGPBAR1TP53
SCHEMBL1379219 0.60 TSHR (0.46) NPSR1LMNAGPBAR1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3125692-B1 USE OF HETEROCYCLIC COMPOUNDS FOR CONTROLLING NEMATODES BAYER CROPSCIENCE AG (DE) 2021-01-27 — — EP disclosed
EP-3125692-B1 USE OF HETEROCYCLIC COMPOUNDS FOR CONTROLLING NEMATODES BAYER CROPSCIENCE AG (DE) 2021-01-27 — — EP disclosed
US-10258038-B2 Use of heterocyclic compounds for controlling nematodes BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-04-16 — — US disclosed
US-10258038-B2 Use of heterocyclic compounds for controlling nematodes BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-04-16 — — US disclosed
US-20170135346-A1 USE OF HETEROCYCLIC COMPOUNDS FOR CONTROLLING NEMATODES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-05-18 — — US disclosed
US-20170135346-A1 USE OF HETEROCYCLIC COMPOUNDS FOR CONTROLLING NEMATODES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-05-18 — — US disclosed
US-20170135346-A1 USE OF HETEROCYCLIC COMPOUNDS FOR CONTROLLING NEMATODES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-05-18 — — US disclosed
EP-3125692-A1 USE OF HETEROCYCLIC COMPOUNDS FOR CONTROLLING NEMATODES Bayer CropScience Aktiengesellschaft (DE) 2017-02-08 — — EP disclosed
WO-2015150252-A1 USE OF HETEROCYCLIC COMPOUNDS FOR CONTROLLING NEMATODES BAYER CROPSCIENCE AG (DE) 2015-10-08 — — WO disclosed
WO-2015150252-A1 USE OF HETEROCYCLIC COMPOUNDS FOR CONTROLLING NEMATODES BAYER CROPSCIENCE AG (DE) 2015-10-08 — — 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 (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-20170135346-A1 USE OF HETEROCYCLIC COMPOUNDS FOR CONTROLLING NEMATODES DDT, CYCS, CYC1 GRIN2B 4227/4885CACNA2D1 3880/4885GRIN1 3954/4885
US-10258038-B2 Use of heterocyclic compounds for controlling nematodes DDT, CYCS, CYC1 GRIN2B 4227/4885CACNA2D1 3880/4885GRIN1 3954/4885

“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.

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