SCHEMBL13699657

SCHEMBL13699657

C=C(C)C(=O)N1CCN(c2ccc(Cl)cc2)[C@H](c2ccc(C(=O)N3CCNCC3)cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 2/20 0.44
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.42
EIF4A3 P38919 8/20 0.40
HSP90AA1 P07900 1/20 0.40
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
AKR1C3 P42330 1/20 0.38
SIGMAR1 Q99720 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
SCHEMBL13699622 0.85 HPGD (0.45) MDM2LMNAPOLBEIF4A3HSP90AA1
SCHEMBL13699635 0.82 MEN1 (0.41) MDM2EIF4A3KMT2A
SCHEMBL13699633 0.80 AKR1C3 (0.48) MDM2LMNAKMT2AALDH1A1HPGD
SCHEMBL13699645 0.80 MEN1 (0.43) MDM2LMNAPOLBKMT2AALDH1A1
SCHEMBL13699651 0.78 MDM2 (0.41) MDM2EIF4A3
SCHEMBL13699641 0.78 AKR1C3 (0.50) MDM2LMNAKMT2AALDH1A1HPGD
SCHEMBL11957724 0.76 ALDH1A1 (0.59) MDM2LMNAEIF4A3KMT2AALDH1A1
SCHEMBL13699644 0.76 AKR1C3 (0.49) LMNAPOLBHPGDAKR1C3
SCHEMBL13699638 0.75 SMN1; SMN2 (0.49) LMNAKMT2AALDH1A1
SCHEMBL11958707 0.74 LMNA (0.54) MDM2LMNAEIF4A3ALDH1A1

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 MDM2 2997/4885LMNA 1997/4885POLB 2614/4885

“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.