SCHEMBL3974236

SCHEMBL3974236

CC(C)(C)OC(=O)N1CCN(C(=O)C(c2ccc(Cl)cc2)C2(O)CCC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
HTT P42858 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
STS P08842 2/20 0.47
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
NPC1 O15118 1/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CNR1 P21554 2/20 0.44
CYP3A4 P08684 2/20 0.42
CYP3A5 P20815 2/20 0.42
VEGFA P15692 1/20 0.41
EGLN1 Q9GZT9 1/20 0.41
POLB P06746 1/20 0.41
ATM Q13315 1/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL3975729 0.97 MEN1 (0.56) MEN1KMT2AHTTSMN1; SMN2NPSR1
SCHEMBL3950475 0.89 MEN1 (0.43) MEN1KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL3976106 0.89 S1PR2 (0.44) MEN1KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL3972647 0.87 MEN1 (0.47) MEN1KMT2AHTTSMN1; SMN2NPSR1
SCHEMBL3961302 0.86 KMT2A (0.43) MEN1KMT2AHTTSMN1; SMN2NPSR1
SCHEMBL3955198 0.85 ESRRB (0.44) MEN1KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL3979294 0.85 S1PR2 (0.43) MEN1KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL3972629 0.85 MEN1 (0.47) MEN1KMT2ASTSCYP3A4CYP3A5
SCHEMBL3955520 0.85 GPR119 (0.50) MEN1KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL3971964 0.85 MEN1 (0.45) MEN1KMT2AHTTSMN1; SMN2NPSR1

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.