SCHEMBL3975729

SCHEMBL3975729

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
HTT P42858 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
STS P08842 2/20 0.47
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
NPC1 O15118 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CNR1 P21554 2/20 0.44
CYP3A4 P08684 2/20 0.41
CYP3A5 P20815 2/20 0.41
VEGFA P15692 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
SLC6A2 P23975 2/20 0.40
POLB P06746 1/20 0.40
ATM Q13315 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
SCHEMBL3974236 0.97 MEN1 (0.57) MEN1KMT2AHTTSMN1; SMN2NPSR1
SCHEMBL3961302 0.90 KMT2A (0.43) MEN1KMT2AHTTSMN1; SMN2NPSR1
SCHEMBL3979294 0.89 S1PR2 (0.43) MEN1KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL3955198 0.89 ESRRB (0.44) MEN1KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL3971964 0.88 MEN1 (0.45) MEN1KMT2AHTTSMN1; SMN2NPSR1
SCHEMBL3961635 0.87 SLC6A2 (0.47) MEN1KMT2ASTSCYP3A4CYP3A5
SCHEMBL3971604 0.87 SLC6A2 (0.47) MEN1KMT2ASTSCYP3A4CYP3A5
SCHEMBL3970062 0.87 SLC6A2 (0.47) MEN1KMT2ASTSCYP3A4CYP3A5
SCHEMBL3980411 0.87 SLC6A2 (0.47) MEN1KMT2ASTSCYP3A4CYP3A5
SCHEMBL3972164 0.87 SLC6A2 (0.47) MEN1KMT2ASTSCYP3A4CYP3A5

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.