SCHEMBL26599044

SCHEMBL26599044

CC(C)(F)C(NC1CC1)c1cccc(C#N)c1F

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 1/20 0.32
RORC P51449 1/20 0.32
PDK1 Q15118 1/20 0.32
PDK2 Q15119 1/20 0.32
PDK3 Q15120 1/20 0.32
PDK4 Q16654 1/20 0.32
LRRK2 Q5S007 2/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL30606546 1.00 OPRL1 (0.32) OPRL1RORCPDK1PDK2PDK3
SCHEMBL26599046 0.80 DRD2 (0.33) RORCLRRK2KDM4EALDH1A1
SCHEMBL30606621 0.80 DRD2 (0.33) RORCLRRK2KDM4EALDH1A1
SCHEMBL30606496 0.78 ADRB2 (0.32) ALDH1A1
SCHEMBL26599006 0.78 ADRB2 (0.32) ALDH1A1
SCHEMBL9003991 0.69 GABRA1 (0.40) LRRK2ALDH1A1
SCHEMBL30606528 0.69 CFD (0.37) OPRL1ALDH1A1
SCHEMBL26599069 0.69 CFD (0.37) OPRL1ALDH1A1
SCHEMBL30606601 0.69
SCHEMBL26599200 0.69

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
US-20250339402-A1 EFFECTIVE MEANS TO MODULATE NMDA RECEPTOR-MEDIATED TOXICITY FUNDAMENTAL PHARMA GMBH (DE) 2025-11-06 US disclosed
EP-4511355-A2 EFFECTIVE MEANS TO MODULATE NMDA RECEPTOR-MEDIATED TOXICITY FundaMental Pharma GmbH (DE) 2025-02-26 EP disclosed
WO-2024223617-A1 EFFECTIVE MEANS TO MODULATE NMDA RECEPTOR-MEDIATED TOXICITY FUNDAMENTAL PHARMA GMBH (DE) 2024-10-31 WO disclosed
WO-2023203254-A2 EFFECTIVE MEANS TO MODULATE NMDA RECEPTOR-MEDIATED TOXICITY FUNDAMENTAL PHARMA GMBH (DE) 2023-10-26 WO disclosed
WO-2023203254-A2 EFFECTIVE MEANS TO MODULATE NMDA RECEPTOR-MEDIATED TOXICITY FUNDAMENTAL PHARMA GMBH (DE) 2023-10-26 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 (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-20250339402-A1 EFFECTIVE MEANS TO MODULATE NMDA RECEPTOR-MEDIATED TOXICITY TRPM4, GRM4, GRIN1 OPRL1 70/4885RORC 3304/4885PDK1 1293/4885

“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.