SCHEMBL3974941

SCHEMBL3974941

COc1ccc(C(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C2(O)CCCCCCC2)cc1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.41
MEN1 O00255 5/20 0.41
LMNA P02545 3/20 0.41
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
GAA P10253 1/20 0.39
PDE4B Q07343 3/20 0.38
PDE4A P27815 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
MAPT P10636 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MAPK1 P28482 2/20 0.38
STS P08842 1/20 0.38
GLA P06280 1/20 0.38
HDAC1 Q13547 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HTT P42858 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL3953035 1.00 KMT2A (0.41) KMT2AMEN1LMNARAB9ANPC1
SCHEMBL3977775 0.99 LMNA (0.39) KMT2AMEN1LMNARAB9ANPC1
SCHEMBL3952053 0.91 KMT2A (0.45) KMT2AMEN1LMNAPDE4BPDE4A
SCHEMBL3960380 0.89 PDE4B (0.40) KMT2AMEN1LMNARAB9ANPC1
SCHEMBL3960385 0.87 ALDH1A1 (0.40) KMT2AMEN1LMNARAB9ANPC1
SCHEMBL3960435 0.87 PDE4B (0.38) KMT2AMEN1LMNARAB9ANPC1
SCHEMBL3953765 0.86 NPC1 (0.41) KMT2AMEN1RAB9ANPC1GAA
SCHEMBL3960420 0.85 SLC6A2 (0.48)
SCHEMBL3955198 0.85 ESRRB (0.44) KMT2AMEN1LMNARAB9ANPC1
SCHEMBL3954696 0.83 POLB (0.44) KMT2AMEN1LMNARAB9ANPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7531543-B2 Phenylpiperazine cycloalkanol derivatives and methods of their use WYETH (US) 2009-05-12 US disclosed
EP-1673358-A1 PHENYLPIPERAZINE CYCLOALKANOL DERIVATIVES AND METHODS OF THEIR USE Wyeth (US) 2006-06-28 EP disclosed
US-20050143394-A1 Phenylpiperazine cycloalkanol derivatives and methods of their use WYETH (US) 2005-06-30 US disclosed
WO-2005037808-A1 PHENYLPIPERAZINE CYCLOALKANOL DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2005-04-28 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-20050143394-A1 Phenylpiperazine cycloalkanol derivatives and methods of their use HTR5A, PNMT, HTR3A KMT2A 2238/4885MEN1 3220/4885LMNA 2130/4885

“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.