SCHEMBL3980468

SCHEMBL3980468

CC(C)(C)OC(=O)N1CCN(C(=O)C(c2cccc(Br)c2)C2(O)CCCCCC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ATM Q13315 2/20 0.40
USP30 Q70CQ3 1/20 0.40
BACE1 P56817 1/20 0.40
ESRRB O95718 1/20 0.40
ESR1 P03372 1/20 0.40
ESRRA P11474 1/20 0.40
ESRRG P62508 1/20 0.40
PDK2 Q15119 1/20 0.39
GPR119 Q8TDV5 2/20 0.39
LMNA P02545 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
HTT P42858 2/20 0.38
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 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
SCHEMBL3960128 1.00 MEN1 (0.40) MEN1KMT2AATMUSP30BACE1
SCHEMBL4260651 1.00 MEN1 (0.40) MEN1KMT2AATMUSP30BACE1
SCHEMBL3974784 0.99 ATM (0.40) MEN1KMT2AATMUSP30BACE1
SCHEMBL3952949 0.97 ATM (0.40) MEN1KMT2AATMUSP30BACE1
SCHEMBL3957138 0.91 BACE1 (0.39) MEN1KMT2AATMUSP30BACE1
SCHEMBL3955067 0.90 SMN1; SMN2 (0.41) MEN1KMT2AATMUSP30BACE1
SCHEMBL5728767 0.89 USP30 (0.39) MEN1KMT2AATMUSP30BACE1
SCHEMBL3955486 0.88 GPR119 (0.40) MEN1KMT2AATMBACE1PDK2
SCHEMBL3961635 0.88 SLC6A2 (0.47) MEN1KMT2A
SCHEMBL3976438 0.88 SLC6A2 (0.47) MEN1KMT2AATMPDK2GPR119

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 MEN1 3220/4885KMT2A 2238/4885ATM 2307/4885

“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.