SCHEMBL13699654

SCHEMBL13699654

C=C(C)C(=O)N1CCN(c2ccc(Cl)cc2)[C@H](c2ccc(CN3CC[C@H](N(C)C)C3)cc2)C1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.40
DRD4 P21917 1/20 0.38
MCHR1 Q99705 1/20 0.38
HDAC1 Q13547 2/20 0.38
NOTUM Q6P988 1/20 0.37
MALT1 Q9UDY8 1/20 0.37
SCN1A P35498 1/20 0.37
SCN8A Q9UQD0 1/20 0.37
LSS P48449 2/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
JAK2 O60674 1/20 0.36
MDM2 Q00987 1/20 0.36
PKM P14618 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL13699648 0.87 MDM2 (0.41) LTA4HHDAC1SCN1ASCN8AMDM2
SCHEMBL13699607 0.86 LTA4H (0.41) LTA4HDRD4MCHR1HDAC1NOTUM
SCHEMBL13699606 0.86 LTA4H (0.41) LTA4HDRD4MCHR1HDAC1NOTUM
SCHEMBL13699644 0.83 AKR1C3 (0.49) NOTUMSMN1; SMN2
SCHEMBL13699635 0.81 MEN1 (0.41) MDM2
SCHEMBL13699645 0.76 MEN1 (0.43) MDM2HTTSMN1; SMN2
SCHEMBL13699633 0.76 AKR1C3 (0.48) MDM2HTTSMN1; SMN2
SCHEMBL13699641 0.74 AKR1C3 (0.50) MDM2HTTSMN1; SMN2
SCHEMBL13699604 0.74 MDM2 (0.41) LTA4HHDAC1SCN1ASCN8AMDM2
SCHEMBL13699609 0.74 MDM2 (0.41) LTA4HHDAC1SCN1ASCN8AMDM2

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 LTA4H 3237/4885DRD4 1007/4885MCHR1 253/4885

“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.