SCHEMBL7651838

SCHEMBL7651838

CCCN(CCC)S(=O)(=O)c1cc2c[c]c(=O)n(P(=O)(O)O)c2cc1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.36
CNR1 P21554 1/20 0.36
PER2 O15055 1/20 0.31
CRY1 Q16526 1/20 0.31
CRY2 Q49AN0 1/20 0.31
ABCC9 O60706 1/20 0.31
ABCC8 Q09428 1/20 0.31
KCNJ11 Q14654 1/20 0.31
KCNJ8 Q15842 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL7652686 0.84 ALDH1A1 (0.35) MAPTTSHRNPSR1
SCHEMBL7652396 0.81 KIF11 (0.31)
SCHEMBL7650392 0.77 TSHR (0.39) CNR2LMNATSHRNPSR1
SCHEMBL6935736 0.75 CNR2 (0.37) CNR2CNR1ABCC9ABCC8KCNJ11
SCHEMBL7650719 0.73 CA9 (0.44) MAPT
SCHEMBL6935413 0.71 CA9 (0.43) MAPT
SCHEMBL7651833 0.71 KDM4E (0.35) CNR2CNR1ABCC9ABCC8KCNJ11
SCHEMBL7652258 0.70 ALDH1A1 (0.43) MAPTTSHR
SCHEMBL6939713 0.68 POLB (0.36) LMNATSHRNPSR1
SCHEMBL7652709 0.68 KDM4E (0.36) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6486143-B2 NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS LES LABORATOIRES SERVIER (FR) 2002-11-26 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 CNR2 238/4885CNR1 160/4885PER2 1410/4885

“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.