SCHEMBL13699633

SCHEMBL13699633

C=C(C)C(=O)N1CCN(c2ccc(Cl)cc2)[C@H](c2ccc(N3CCOCC3)cc2)C1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.48
MAPT P10636 7/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HPGD P15428 2/20 0.43
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PIK3CD O00329 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
MDM2 Q00987 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 3/20 0.38
SLC6A9 P48067 1/20 0.38
SLC6A5 Q9Y345 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL13699645 0.89 MEN1 (0.43) AKR1C3SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL13699644 0.89 AKR1C3 (0.49) AKR1C3MAPTSMN1; SMN2HPGDLMNA
SCHEMBL13699641 0.88 AKR1C3 (0.50) AKR1C3MAPTSMN1; SMN2HPGDMEN1
SCHEMBL13699635 0.86 MEN1 (0.41) MEN1KMT2AMDM2
SCHEMBL13699638 0.84 SMN1; SMN2 (0.49) MAPTSMN1; SMN2MEN1KMT2ACNR1
SCHEMBL13699554 0.84 AKR1C3 (0.49) AKR1C3MAPTSMN1; SMN2HPGDMEN1
SCHEMBL13699657 0.80 MDM2 (0.44) AKR1C3HPGDKMT2AMDM2LMNA
SCHEMBL13699654 0.76 LTA4H (0.40) SMN1; SMN2MDM2HTT
SCHEMBL13699557 0.73 AKR1C3 (0.50) AKR1C3MAPTSMN1; SMN2HPGDLMNA
SCHEMBL4167781 0.73 RIPK1 (0.45) AKR1C3MAPTSMN1; SMN2HPGDMEN1

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 620/4885MAPT 3800/4885SMN1; SMN2 422/4885

“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.