SCHEMBL6400858

SCHEMBL6400858

O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(CCCN2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.64
ALDH1A1 P00352 4/20 0.64
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
LMNA P02545 6/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
MAPK1 P28482 3/20 0.58
RECQL P46063 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
HTT P42858 1/20 0.55
RAB9A P51151 2/20 0.55
NPSR1 Q6W5P4 2/20 0.53
KDM4E B2RXH2 1/20 0.52
GAA P10253 1/20 0.51
PHGDH O43175 3/20 0.50

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
SCHEMBL1265183 0.85 MAPT (0.68) MAPTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL3485710 0.84 MAPT (0.73) MAPTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL30148162 0.83 MAPT (0.68) MAPTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL615409 0.83 MAPT (0.68) MAPTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL1110533 0.82 MAPT (0.71) MAPTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL1110483 0.82 MAPT (0.71) MAPTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL1110574 0.82 MAPT (0.71) MAPTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL1110528 0.82 MAPT (0.71) MAPTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL4445663 0.81 MAPT (0.65) MAPTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL28322333 0.81 MAPT (0.69) MAPTALDH1A1MEN1KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050130961-A1 Muscarinic M1 receptor agonists for pain management ACADIA PHARMACEUTICALS INC. 2005-06-16 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-20050130961-A1 Muscarinic M1 receptor agonists for pain management CHRM1, CHRM3, CHRM2 MAPT 2485/4885ALDH1A1 1477/4885MEN1 2481/4885

“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.