SCHEMBL4893825

SCHEMBL4893825

O=C(NCCF)NCc1cccc(Cl)c1F

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.57
NPC1 O15118 1/20 0.57
CASR P41180 1/20 0.53
P2RX7 Q99572 4/20 0.47
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
FPR3 P25089 1/20 0.43
FPR2 P25090 1/20 0.43
CD38 P28907 1/20 0.41
CFD P00746 4/20 0.40
CNR1 P21554 2/20 0.39
METAP2 P50579 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL4898824 0.87 NPC1 (0.58) RAB9ANPC1CASRP2RX7MEN1
SCHEMBL4896207 0.84 RAB9A (0.55) RAB9ANPC1CASRP2RX7MEN1
SCHEMBL19208061 0.82 CFD (0.50) RAB9ANPC1P2RX7MEN1KMT2A
SCHEMBL29781501 0.82 CFD (0.50) RAB9ANPC1P2RX7MEN1KMT2A
SCHEMBL4893187 0.81 NPC1 (0.51) RAB9ANPC1CASRMEN1KMT2A
SCHEMBL19208424 0.80 P2RX7 (0.56) RAB9ANPC1CASRP2RX7MEN1
SCHEMBL16396429 0.80 P2RX7 (0.55) RAB9ANPC1CASRP2RX7MEN1
SCHEMBL19208558 0.79 P2RX7 (0.55) RAB9ANPC1P2RX7MEN1KMT2A
SCHEMBL23368468 0.78 P2RX7 (0.54) RAB9ANPC1P2RX7CD38CFD
SCHEMBL5795605 0.78 P2RX7 (0.51) RAB9ANPC1CASRP2RX7MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8557853-B2 Aryl fluoroethyl ureas acting as alpha 2 adrenergic agents ALLERGAN, INC. (US) 2013-10-15 US disclosed
US-8557853-B2 Aryl fluoroethyl ureas acting as alpha 2 adrenergic agents ALLERGAN, INC. (US) 2013-10-15 US disclosed
US-8557853-B2 Aryl fluoroethyl ureas acting as alpha 2 adrenergic agents ALLERGAN, INC. (US) 2013-10-15 US disclosed
US-20080194650-A1 ARYL FLUOROETHYL UREAS ACTING AS ALPHA 2 ADRENERGIC AGENTS ALLERGHAN, INC. 2008-08-14 US disclosed
US-20080194650-A1 ARYL FLUOROETHYL UREAS ACTING AS ALPHA 2 ADRENERGIC AGENTS ALLERGHAN, INC. 2008-08-14 US disclosed
US-20080194650-A1 ARYL FLUOROETHYL UREAS ACTING AS ALPHA 2 ADRENERGIC AGENTS ALLERGHAN, INC. 2008-08-14 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-20080194650-A1 ARYL FLUOROETHYL UREAS ACTING AS ALPHA 2 ADRENERGIC AGENTS ADRB2, ADRA2C, ADRA2A RAB9A 1593/4885NPC1 873/4885CASR 839/4885

“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.