SCHEMBL3596702

SCHEMBL3596702

O=C(O)N[C@H](CO)c1cccc(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 2/20 0.54
KCNQ2 O43526 2/20 0.54
KCNQ4 P56696 1/20 0.54
KCNQ5 Q9NR82 1/20 0.54
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
POLB P06746 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
IL1B P01584 1/20 0.48
P2RX7 Q99572 1/20 0.48
ACP3 P15309 2/20 0.48
CES2 O00748 1/20 0.48
PNMT P11086 1/20 0.48
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
EPHX1 P07099 1/20 0.46

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
SCHEMBL3447481 1.00 KCNQ3 (0.54) KCNQ3KCNQ2KCNQ4KCNQ5MEN1
SCHEMBL3447133 0.89 MAPT (0.46) KCNQ3KCNQ2KCNQ4KCNQ5MEN1
SCHEMBL3446563 0.87 PNMT (0.57) MEN1ALDH1A1CYP1A2POLBCYP3A4
SCHEMBL14393693 0.87 KCNQ3 (0.51) KCNQ3KCNQ2KCNQ4KCNQ5MEN1
SCHEMBL14393696 0.87 KCNQ3 (0.51) KCNQ3KCNQ2KCNQ4KCNQ5MEN1
Hydrochloric Acid SCHEMBL168310 0.86 PNMT (0.56) MEN1ALDH1A1CYP1A2POLBCYP3A4
SCHEMBL3447393 0.86 SLC6A9 (0.46) KCNQ3KCNQ2KCNQ4KCNQ5MEN1
SCHEMBL14368095 0.85 HDAC1 (0.52) KCNQ3KCNQ2KCNQ4KCNQ5MEN1
SCHEMBL18162789 0.85 KCNQ3 (0.49) KCNQ3KCNQ2KCNQ4KCNQ5MEN1
SCHEMBL16901653 0.85 KCNQ2 (0.49) KCNQ3KCNQ2KCNQ4KCNQ5MEN1

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-8431607-B2 Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2013-04-30 US disclosed
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2010-09-16 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-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH KCNQ3 1193/4885KCNQ2 1154/4885KCNQ4 1526/4885

“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.