SCHEMBL3971964

SCHEMBL3971964

CC(C)(C)OC(=O)N1CCN(C(=O)C(c2ccc(Cl)c(Cl)c2)C2(O)CCCCC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HTT P42858 4/20 0.42
MAPT P10636 3/20 0.42
MAPK1 P28482 2/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CNR1 P21554 2/20 0.38
KDM1A O60341 1/20 0.38
POLB P06746 1/20 0.38
ATM Q13315 1/20 0.38
SLC6A3 Q01959 1/20 0.38
PDK2 Q15119 1/20 0.38
GPR119 Q8TDV5 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
SCHEMBL3952342 0.92 MEN1 (0.43) MEN1KMT2AHTTMAPTMAPK1
SCHEMBL3953777 0.91 MEN1 (0.42) MEN1KMT2AHTTMAPTMAPK1
SCHEMBL3975729 0.88 MEN1 (0.56) MEN1KMT2AHTTMAPTMAPK1
SCHEMBL3970062 0.87 SLC6A2 (0.47) MEN1KMT2ASLC6A3
SCHEMBL3980411 0.87 SLC6A2 (0.47) MEN1KMT2ASLC6A3
SCHEMBL3972164 0.87 SLC6A2 (0.47) MEN1KMT2ASLC6A3
SCHEMBL3961635 0.87 SLC6A2 (0.47) MEN1KMT2ASLC6A3
SCHEMBL3971604 0.87 SLC6A2 (0.47) MEN1KMT2ASLC6A3
SCHEMBL3972629 0.85 MEN1 (0.47) MEN1KMT2ASLC6A3
SCHEMBL3974236 0.85 MEN1 (0.57) MEN1KMT2AHTTMAPTMAPK1

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 2238/4885HTT 647/4885

“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.