SCHEMBL6352103

SCHEMBL6352103

COc1cc(C2(C#N)CC2)ccc1OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.50
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
PDE4A P27815 4/20 0.47
PDE4C Q08493 4/20 0.47
PDE4D Q08499 4/20 0.47
TSHR P16473 2/20 0.47
MAPT P10636 1/20 0.47
KDM4E B2RXH2 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
BLM P54132 1/20 0.47
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.45

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
SCHEMBL17106559 0.95 PDE4B (0.48) PDE4BMEN1KMT2ANPC1RAB9A
SCHEMBL6352020 0.95 PDE4B (0.55) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL1465431 0.92 PDE4B (0.46) PDE4BPDE4APDE4CPDE4D
SCHEMBL20028131 0.92 SMN1; SMN2 (0.48) PDE4BMEN1KMT2ANPC1RAB9A
SCHEMBL20028829 0.87 SMN1; SMN2 (0.45) PDE4BMEN1KMT2ANPC1RAB9A
SCHEMBL77276 0.82 PDE4B (0.59) PDE4BMEN1KMT2ANPC1RAB9A
SCHEMBL21874188 0.79 S1PR5 (0.40) PDE4BALDH1A1
SCHEMBL28665078 0.78 PDE4B (0.51) PDE4BPDE4APDE4CPDE4D
SCHEMBL3165771 0.77 PDE4B (0.63) PDE4BPDE4APDE4CPDE4DSMN1; SMN2
SCHEMBL1464596 0.77 NPC1 (0.56) MEN1KMT2ANPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050239841-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 US disclosed
WO-2005051381-A1 Substituted urea-octatydroindols as antagonists of melanin concentrating hormone receptor 1 (MCH1R) BIOVITRUM AB (SE) 2005-06-09 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-20050239841-A1 New compounds MCHR1, NPY1R, HCRTR1 PDE4B 815/4885MEN1 366/4885KMT2A 3307/4885

“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.