SCHEMBL13699644

SCHEMBL13699644

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

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.49
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
HRH3 Q9Y5N1 5/20 0.42
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
NOTUM Q6P988 1/20 0.39
ENPP2 Q13822 2/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 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
SCHEMBL13699633 0.89 AKR1C3 (0.48) AKR1C3SMN1; SMN2LMNAHPGDMAPT
SCHEMBL13699557 0.85 AKR1C3 (0.50) AKR1C3NPC1RAB9AHRH3USP2
SCHEMBL13699654 0.83 LTA4H (0.40) SMN1; SMN2NOTUM
SCHEMBL13699635 0.81 MEN1 (0.41)
SCHEMBL13699645 0.81 MEN1 (0.43) AKR1C3RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL13699641 0.79 AKR1C3 (0.50) AKR1C3SMN1; SMN2LMNAHPGDMAPT
SCHEMBL13699638 0.76 SMN1; SMN2 (0.49) TSHRSMN1; SMN2LMNAMAPT
SCHEMBL13699657 0.76 MDM2 (0.44) AKR1C3LMNAPOLBHPGD
SCHEMBL13699554 0.74 AKR1C3 (0.49) AKR1C3SMN1; SMN2LMNAMAPK1HPGD
SCHEMBL13699578 0.72 MLNR (0.44) NOTUM

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 1 patent. 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

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.