SCHEMBL6929181

SCHEMBL6929181

CCC(C)OP(=O)(O)c1cc2ccc(C(F)(F)F)cc2[nH]c1=O

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
PDE2A O00408 4/20 0.34
DAO P14920 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
SCHEMBL6928590 0.85 DAO (0.46) GRIN1DAO
SCHEMBL7739895 0.84 AKR1C3 (0.36) GRIN1CDK5CDK5R1PDE2A
SCHEMBL7740618 0.83 PTGES (0.38) GRIN1PDE2A
SCHEMBL6926403 0.83 DAO (0.46) GRIN1DAO
SCHEMBL7198441 0.81 AR (0.36) GRIN1
SCHEMBL7735090 0.79 NTRK1 (0.36) PDE2A
SCHEMBL7198556 0.78 CA12 (0.33) GRIN1
SCHEMBL7068989 0.78 AR (0.41)
SCHEMBL7199614 0.78 EGLN1 (0.30) GRIN1
SCHEMBL7740364 0.77 GRIA1 (0.48)

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-6596709-B1 For treatment of Alzheimer's disease, schizophrenia, amyotrophic lateral sclerosis, and Huntington's chorea LES LABORATOIRES SERVIER (FR) 2003-07-22 US disclosed
US-6518258-B1 6-sulphamoyl -3-quinolyphosphonic acid compounds LES LABORATOIRES SERVIER (FR) 2003-02-11 US disclosed
US-6486143-B2 NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS LES LABORATOIRES SERVIER (FR) 2002-11-26 US disclosed
US-6420386-B1 SPINAL TRAUMATISM, EPILEPSY, CHRONIC NEURODEGENERATIVE DISEASES SUCH AS ALZHEIMER'S DISEASE, SCHIZOPHRENIA, LATERAL AMYOTROPHIC SCLEROSIS OR HUNTINGTON'S CHOREA. LES LABORATORIES SERVIER (FR) 2002-07-16 US disclosed
US-20010031746-A1 6-amino- or 6-hydrazino-sulphonyl-3-quinolynyl-phosphonic acid compounds LES LABORATOIRES SERVIER (FR) 2001-10-18 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-20010031746-A1 6-amino- or 6-hydrazino-sulphonyl-3-quinolynyl-phosphonic acid compounds CA6, P2RY6, FPR3 GRIN1 801/4885SCN10A 1227/4885CDK5 956/4885

“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.