SCHEMBL13699574

SCHEMBL13699574

Cc1cc(Cl)ccc1N1CCN(C(=O)C(C)(C)C)C[C@H]1c1ccc(N2CCNCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 2/20 0.43
MAPKAPK2 P49137 3/20 0.42
LMNA P02545 2/20 0.40
MAPK1 P28482 2/20 0.40
AKR1C3 P42330 1/20 0.40
HTR3E A5X5Y0 2/20 0.38
HTR3B O95264 2/20 0.38
ADRB1 P08588 2/20 0.38
HTR3A P46098 2/20 0.38
HTR3D Q70Z44 2/20 0.38
HTR3C Q8WXA8 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
MEN1 O00255 1/20 0.37
IDE P14735 1/20 0.37
KMT2A Q03164 1/20 0.37
TP53 P04637 2/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL4166206 0.84 MDM2 (0.47) MDM2LMNAMAPK1AKR1C3MEN1
SCHEMBL4166201 0.84 MDM2 (0.47) MDM2LMNAMAPK1AKR1C3MEN1
SCHEMBL4163914 0.83 MDM2 (0.46) MDM2LMNAMAPK1AKR1C3MEN1
SCHEMBL4168355 0.80 MDM2 (0.43) MDM2LMNAMAPK1AKR1C3MEN1
SCHEMBL13699546 0.80 MDM2 (0.43) MDM2LMNAMAPK1MAPT
SCHEMBL4168350 0.80 MDM2 (0.43) MDM2LMNAMAPK1AKR1C3MEN1
SCHEMBL13699573 0.79 MDM2 (0.44) MDM2LMNAMAPK1AKR1C3MEN1
SCHEMBL13699596 0.78 MDM2 (0.44) MDM2LMNAMAPK1CYP3A4AVPR1A
SCHEMBL13699622 0.77 HPGD (0.45) MDM2LMNAAKR1C3SIGMAR1MEN1
SCHEMBL13699576 0.77 RIPK1 (0.39) MDM2LMNAMAPK1MEN1KMT2A

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 3 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
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 MDM2 2997/4885MAPKAPK2 2970/4885LMNA 1997/4885

“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.