SCHEMBL12420848

SCHEMBL12420848

O=C(c1cc(OCc2cccc(F)c2)ccn1)N1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.47
MAOB P27338 5/20 0.46
SCN7A Q01118 1/20 0.46
KCNH2 Q12809 1/20 0.46
HTR6 P50406 2/20 0.46
PARP1 P09874 4/20 0.46
MAOA P21397 1/20 0.45
PARP10 Q53GL7 1/20 0.45
PRMT5 O14744 1/20 0.44
FAAH O00519 1/20 0.44
GRM5 P41594 1/20 0.44

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
SCHEMBL12420766 0.84 NR4A2 (0.62) NR4A2MAOBPARP1PARP10GRM5
SCHEMBL12420601 0.82 NR4A2 (0.62) NR4A2MAOBPARP1MAOAPARP10
Hydrochloric Acid SCHEMBL2195211 0.81 NR4A2 (0.60) NR4A2MAOBPARP1MAOAPARP10
SCHEMBL12509219 0.79 FAAH (0.49) NR4A2FAAHGRM5
SCHEMBL12420762 0.78 NR4A2 (0.55) NR4A2MAOBMAOAPARP10PRMT5
SCHEMBL12420767 0.77 PARP1 (0.67) HTR6PARP1
SCHEMBL12420802 0.73 PARP1 (0.59) NR4A2MAOBPARP1
SCHEMBL11085975 0.71 ALDH1A1 (0.74) NR4A2MAOBPARP1
SCHEMBL2193907 0.71 MAOB (0.56) NR4A2MAOBHTR6MAOAPARP10
SCHEMBL12420842 0.71 HRH3 (0.43) SCN7AKCNH2

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-20110172230-A1 UREA COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-07-14 US disclosed
US-20110172230-A1 UREA COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-07-14 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-20110172230-A1 UREA COMPOUND OR SALT THEREOF FAAH, FAAH2, UTS2R NR4A2 3133/4885MAOB 222/4885SCN7A 898/4885

“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.