SCHEMBL13699645

SCHEMBL13699645

C=C(C)C(=O)N1CCN(c2ccc(Cl)cc2)[C@H](c2ccc(N3CCN(C)CC3)cc2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
AKR1C3 P42330 6/20 0.41
LMNA P02545 4/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
HTR1A P08908 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR6 P50406 1/20 0.40
POLB P06746 1/20 0.40
KDM4E B2RXH2 1/20 0.39
GFER P55789 1/20 0.39
MDM2 Q00987 1/20 0.39
RAB9A P51151 1/20 0.38
ACHE P22303 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
SCHEMBL13699641 0.90 AKR1C3 (0.50) MEN1KMT2AAKR1C3LMNAALDH1A1
SCHEMBL13699633 0.89 AKR1C3 (0.48) MEN1KMT2AAKR1C3LMNAALDH1A1
SCHEMBL13699638 0.86 SMN1; SMN2 (0.49) MEN1KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL13699635 0.86 MEN1 (0.41) MEN1KMT2AMDM2ACHE
SCHEMBL4167781 0.84 RIPK1 (0.45) MEN1KMT2AAKR1C3LMNAALDH1A1
SCHEMBL4167779 0.84 RIPK1 (0.45) MEN1KMT2AAKR1C3LMNAALDH1A1
SCHEMBL13699644 0.81 AKR1C3 (0.49) AKR1C3LMNASMN1; SMN2HPGDPOLB
SCHEMBL13699657 0.80 MDM2 (0.44) KMT2AAKR1C3LMNAALDH1A1HPGD
SCHEMBL13699654 0.76 LTA4H (0.40) SMN1; SMN2HTTMDM2
SCHEMBL27839599 0.74 POLB (0.44) MEN1KMT2ALMNAALDH1A1SMN1; SMN2

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 MEN1 1455/4885KMT2A 1254/4885AKR1C3 620/4885

“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.