SCHEMBL3979294

SCHEMBL3979294

CC(C)(C)OC(=O)N1CCN(C(=O)C(c2ccc(F)cc2)C2(O)CCCCC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 3/20 0.42
HTT P42858 2/20 0.42
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SLC6A2 P23975 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC1 Q13547 1/20 0.40
POLB P06746 1/20 0.40
RORC P51449 1/20 0.40
ATM Q13315 1/20 0.40
PDK2 Q15119 1/20 0.39
MMP13 P45452 1/20 0.39
LMNA P02545 1/20 0.39
CYP2C19 P33261 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
SCHEMBL3976106 0.97 S1PR2 (0.44) S1PR2MEN1KMT2AMAPTHTT
SCHEMBL3961302 0.90 KMT2A (0.43) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL3955198 0.89 ESRRB (0.44) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL3975729 0.89 MEN1 (0.56) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL3976438 0.87 SLC6A2 (0.47) S1PR2MEN1KMT2AMAPTSLC6A2
SCHEMBL3955967 0.87 GPR119 (0.49) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL3951885 0.87 USP30 (0.44) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL3953185 0.86 MEN1 (0.39) S1PR2MEN1KMT2AMAPTHTT
SCHEMBL3974236 0.85 MEN1 (0.57) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL3950475 0.85 MEN1 (0.43) MEN1KMT2AMAPTHTTALDH1A1

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 S1PR2 934/4885MEN1 3220/4885KMT2A 2238/4885

“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.