SCHEMBL5417860

SCHEMBL5417860

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
STS P08842 2/20 0.50
CYP3A4 P08684 2/20 0.48
CYP3A5 P20815 2/20 0.48
HTT P42858 2/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NPSR1 Q6W5P4 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MGLL Q99685 2/20 0.46
ABHD6 Q9BV23 1/20 0.46
VEGFA P15692 1/20 0.45
EGLN1 Q9GZT9 1/20 0.45
CNR1 P21554 3/20 0.44
RPS6KB1 P23443 3/20 0.43

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
SCHEMBL14593336 0.89 GPR119 (0.48) MEN1KMT2ACYP3A4CYP3A5HTT
SCHEMBL14593235 0.88 GLS (0.49) MEN1KMT2ASTSHTTNPC1
SCHEMBL5407838 0.87 ALDH1A1 (0.53) STSHTTNPC1ALDH1A1MAPT
SCHEMBL14593379 0.86 CYP3A4 (0.50) MEN1KMT2ASTSCYP3A4CYP3A5
SCHEMBL2843983 0.86 MAPT (0.53) HTTNPC1ALDH1A1MAPTMAPK1
SCHEMBL5409335 0.86 MEN1 (0.52) MEN1KMT2ASTSCYP3A4CYP3A5
SCHEMBL14593442 0.84 MEN1 (0.50) MEN1KMT2ASTSCYP3A4CYP3A5
SCHEMBL14593385 0.83 MEN1 (0.46) MEN1KMT2ASTSMAPTMAPK1
SCHEMBL17276580 0.83 MGLL (0.64) MEN1KMT2ASTSCYP3A4CYP3A5
SCHEMBL5406440 0.82 DPP4 (0.52) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7169777-B2 Melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-01-30 US disclosed
US-7169777-B2 Melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-01-30 US disclosed
US-20040116699-A1 Melanocortin receptor agonists ELI LILLY AND COMPANY 2004-06-17 US disclosed
US-20030207865-A1 Substituted 2-arylimino heterocycles and compositions containing them for use as progesterone receptor binding agents DIXON BRIAN R (US) 2003-11-06 US disclosed
US-6353006-B1 TREATMENT OF BONE DISORDERS, OSTEOPOROSIS AND HEALING AGENT BAYER CORPORATION 2002-03-05 US disclosed
EP-1144396-A2 SUBSTITUTED 2-ARYLIMINO HETEROCYCLES AND COMPOSITIONS CONTAINING THEM, FOR USE AS PROGESTERONE RECEPTOR BINDING AGENTS Bayer Corporation (US) 2001-10-17 EP disclosed
WO-2000042031-A2 SUBSTITUTED 2-ARYLIMINO HETEROCYCLES AND COMPOSITIONS CONTAINING THEM, FOR USE AS PROGESTERONE RECEPTOR BINDING AGENTS BAYER CORPORATION (US) 2000-07-20 WO disclosed
US-4129580-A Resolution of certain asymmetric primary amines using lasalocid HOFFMANN-LA ROCHE INC. (US) 1978-12-12 US 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-20030207865-A1 Substituted 2-arylimino heterocycles and compositions containing them for use as progesterone receptor binding agents PGR, PGRMC2, PGRMC1 MEN1 4164/4885KMT2A 2165/4885STS 843/4885

“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.