SCHEMBL4286823

SCHEMBL4286823

CC(C)(C)CNC(=O)Nc1ccc(C(=O)N2CCN(Cc3cccc(C(=O)NC(C)(C)C(F)(F)F)c3)CC2)cc1.CC(C)(C)NC(=O)c1cccc(CN2CCN(C(=O)c3ccc(NC(=O)NCCC4CC4)c(F)c3)CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 2/20 0.38
ACKR3 P25106 6/20 0.38
PRKAB2 O43741 3/20 0.37
PRKAG1 P54619 3/20 0.37
PRKAA2 P54646 3/20 0.37
PRKAA1 Q13131 3/20 0.37
PRKAG3 Q9UGI9 3/20 0.37
PRKAG2 Q9UGJ0 3/20 0.37
PRKAB1 Q9Y478 3/20 0.37
CCR3 P51677 1/20 0.36
ROCK2 O75116 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL1019141 0.89 ACKR3 (0.43) CHRM4ACKR3MAOB
SCHEMBL1018759 0.89 MEN1 (0.42)
SCHEMBL1019162 0.87 MEN1 (0.44) ACKR3
SCHEMBL1019812 0.86 PRKAB2 (0.47) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL1019054 0.85 HTT (0.44) TP53MAPT
Hydrochloric Acid SCHEMBL3690436 0.85 HTT (0.43) TP53MAPT
SCHEMBL1020415 0.83 HTT (0.46) ACKR3TP53MAPT
SCHEMBL12954825 0.83 MEN1 (0.46) ACKR3PRKAB2PRKAG1PRKAA2PRKAA1
Trifluoroacetic Acid SCHEMBL1018638 0.82 PRKAB2 (0.48) ACKR3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1018897 0.81 MEN1 (0.41) ACKR3

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-8314091-B2 N-benzyl,N'-arylcarbonylpiperazine derivatives MSD OSS B.V. (NL) 2012-11-20 US claimed
US-20090264416-A1 N-BENZYL,N'-ARYLCARBONYLPIPERAZINE DERIVATIVES N.V. ORGANON AND PHARMACOPEIA, INC. 2009-10-22 US claimed

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-20090264416-A1 N-BENZYL,N'-ARYLCARBONYLPIPERAZINE DERIVATIVES NPC1L1, NPC1, ABCB11 CHRM4 4182/4885ACKR3 1939/4885PRKAB2 3753/4885

“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.