SCHEMBL6403250

SCHEMBL6403250

CC(C)(C)OC(=O)N1CCN(C2CCCc3ccc(OCc4ccc(N5CCOCC5)cc4)cc32)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 9/20 0.48
DDB1 Q16531 1/20 0.46
CRBN Q96SW2 1/20 0.46
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
GPR119 Q8TDV5 6/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MTNR1A P48039 3/20 0.41
TGFBR1 P36897 1/20 0.41

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
SCHEMBL6409504 0.93 MTNR1B (0.49) MTNR1BDDB1CRBNGPR119CA12
SCHEMBL6409482 0.87 MTNR1B (0.52) MTNR1BGPR119MTNR1A
SCHEMBL6407452 0.87 MTNR1B (0.52) MTNR1BGPR119MTNR1A
SCHEMBL6403876 0.86 ADRA1D (0.46) MTNR1BCNR1CNR2
SCHEMBL6403218 0.86 MTNR1B (0.50) MTNR1BGPR119MAPTMTNR1A
SCHEMBL6405980 0.84 MTNR1B (0.48) MTNR1BGPR119MTNR1A
SCHEMBL6408435 0.82 ADRA1D (0.41) MTNR1BDDB1CRBNCNR1CNR2
SCHEMBL6408595 0.80 MTNR1B (0.56) MTNR1BGPR119MTNR1A
SCHEMBL6422049 0.79 MTNR1B (0.73) MTNR1BMTNR1A
SCHEMBL6409459 0.79 MTNR1B (0.54) MTNR1BGPR119MTNR1A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050288376-A1 Bicyclyl or heterobicyclylmethanesulfonylanimo-substituted N-hydroxyformamides SMITHKLINE BEECHAM PLC 2005-12-29 US disclosed
US-20050288304-A1 Tetrahydronaphthylpiperazines as 5HT1B antagonists, inverse agonists and partial agonists PFIZER INC 2005-12-29 US disclosed
WO-2005113527-A1 TETRAHYDRONAPHTHYL- PIPERAZINES AS 5-HT1B ANTAGONISTS, INVERSE AGONISTS AND PARTIAL AGONISTS PFIZER PRODUCTS INC. (US) 2005-12-01 WO disclosed
EP-1289980-B1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM PLC (GB) 2004-11-17 EP disclosed
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides SMITHKLINE BEECHAM P.L.C. (GB) 2004-02-05 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 (3 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-20050288304-A1 Tetrahydronaphthylpiperazines as 5HT1B antagonists, inverse agonists and partial agonists HTR1A, HTR1B, HTR1D MTNR1B 63/4885DDB1 2250/4885CRBN 2161/4885
US-20050288376-A1 Bicyclyl or heterobicyclylmethanesulfonylanimo-substituted N-hydroxyformamides CD22, CD2, NEU3 MTNR1B 3594/4885DDB1 1229/4885CRBN 1817/4885
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides CD22, CD2, NEU3 MTNR1B 2963/4885DDB1 838/4885CRBN 2419/4885

“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.