SCHEMBL3282177

SCHEMBL3282177

Cc1cccc(C(N)Cc2cccnc2)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 4/20 0.44
NOS2 P35228 2/20 0.43
CYP3A4 P08684 5/20 0.41
CYP2D6 P10635 5/20 0.41
SLC6A2 P23975 5/20 0.41
SLC6A4 P31645 5/20 0.41
SLC6A3 Q01959 5/20 0.41
FDPS P14324 1/20 0.41
KDM4E B2RXH2 1/20 0.41
VNN1 O95497 1/20 0.41
KCNH2 Q12809 3/20 0.40
LMNA P02545 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CHRNA7 P36544 1/20 0.40

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
SCHEMBL3282252 0.83 NOS1 (0.43) NOS1NOS2CYP2D6SLC6A2SLC6A4
SCHEMBL3282110 0.81 TAAR1 (0.52) NOS1NOS2CYP2D6SLC6A2SLC6A4
SCHEMBL8866594 0.81 CYP1A2 (0.51) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL9322352 0.80 CYP1A2 (0.50) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL3924798 0.79 TACR1 (0.44) NOS1NOS2CYP3A4CYP2D6SLC6A2
SCHEMBL3283174 0.76 ACHE (0.48) NOS1NOS2
SCHEMBL12894954 0.76 SLC6A2 (0.57) CYP2D6SLC6A2SLC6A4SLC6A3FDPS
SCHEMBL290633 0.76 SLC6A2 (0.57) CYP2D6SLC6A2SLC6A4SLC6A3FDPS
SCHEMBL29669201 0.76 SLC6A2 (0.57) CYP2D6SLC6A2SLC6A4SLC6A3FDPS
SCHEMBL22197081 0.75 KCNA5 (0.43) CYP3A4CYP2D6KDM4EVNN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2018364-B1 THERAPEUTIC FLUOROETHYL UREAS ALLERGAN INC (US) 2013-08-21 EP disclosed
US-7709507-B2 Therapeutic fluoroethyl ureas ALLERGAN, INC. (US) 2010-05-04 US disclosed
US-20070270498-A1 THERAPEUTIC FLUOROETHYL UREAS ALLERGAN, INC. 2007-11-22 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-20070270498-A1 THERAPEUTIC FLUOROETHYL UREAS SLC14A1, MAPT, UTS2R NOS1 3412/4885NOS2 3148/4885CYP3A4 3154/4885

“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.