SCHEMBL13699557

SCHEMBL13699557

CC(C)(C)C(=O)N1CCN(c2ccc(Cl)cc2)C(c2ccc(CN3CCOCC3)cc2)C1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.50
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
HRH3 Q9Y5N1 5/20 0.43
USP2 O75604 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
NOTUM Q6P988 1/20 0.40
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
ENPP2 Q13822 2/20 0.39
MAPT P10636 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
SCHEMBL13699554 0.89 AKR1C3 (0.49) AKR1C3SMN1; SMN2LMNAMAPK1HPGD
SCHEMBL13699644 0.85 AKR1C3 (0.49) AKR1C3NPC1RAB9AHRH3USP2
SCHEMBL13699605 0.85 CXCR4 (0.42) HRH3NOTUMPOLBENPP2
SCHEMBL13699578 0.84 MLNR (0.44) NOTUM
SCHEMBL13699606 0.83 LTA4H (0.41) NOTUM
SCHEMBL13699607 0.83 LTA4H (0.41) NOTUM
SCHEMBL4160818 0.81 RIPK1 (0.44)
SCHEMBL4160826 0.81 RIPK1 (0.44)
SCHEMBL4167779 0.81 RIPK1 (0.45) AKR1C3SMN1; SMN2LMNAMAPK1POLB
SCHEMBL4167781 0.81 RIPK1 (0.45) AKR1C3SMN1; SMN2LMNAMAPK1POLB

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-20090221582-A1 Piperazine Derivatives And Their Use In Therapy VERNALIS (R&D) (GB) 2009-09-03 US disclosed
WO-2007057687-A1 PIPERAZINE DERIVATIVES AND THEIR USE IN THERAPY VERNALIS (R & D) LIMITED (GB) 2007-05-24 WO 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-20090221582-A1 Piperazine Derivatives And Their Use In Therapy CNR2, CNR1, ALK AKR1C3 620/4885NPC1 605/4885RAB9A 3620/4885

“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.