SCHEMBL3090113

SCHEMBL3090113

Cc1cccc2c1CC1CCN(C)CC21

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
KMT2A Q03164 1/20 0.50
HSD17B10 Q99714 1/20 0.50
SIGMAR1 Q99720 3/20 0.42
SLC6A2 P23975 3/20 0.41
SLC6A3 Q01959 3/20 0.41
SLC6A4 P31645 2/20 0.41
HRH1 P35367 1/20 0.39
HTR6 P50406 1/20 0.39
ACHE P22303 1/20 0.36
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35

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
SCHEMBL3090108 1.00 MAPT (0.50) MAPTKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL6556524 0.80 MAPT (0.46) MAPTKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL6556519 0.80 MAPT (0.46) MAPTKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL3072580 0.78 MAPT (0.39) MAPTKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL3072579 0.78 MAPT (0.39) MAPTKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL3077450 0.76 ALDH1A1 (0.47) MAPTKDM4EMEN1ALDH1A1ALOX15
SCHEMBL3077446 0.76 ALDH1A1 (0.47) MAPTKDM4EMEN1ALDH1A1ALOX15
SCHEMBL21079136 0.75 ACHE (0.48) SLC6A2SLC6A3SLC6A4ACHEHTR1A
SCHEMBL3087623 0.73 OPRD1 (0.39) MAPTKDM4EMEN1ALDH1A1CYP1A2
Fumaric Acid SCHEMBL6556550 0.73 MAPT (0.40) MAPTKDM4EMEN1ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070049613-A1 Substituted tricyclic heterocycles as serotonin receptor agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-03-01 US claimed
US-7795436-B2 Substituted tricyclic heterocycles as serotonin receptor agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-14 US disclosed
US-20070049613-A1 Substituted tricyclic heterocycles as serotonin receptor agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-03-01 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-20070049613-A1 Substituted tricyclic heterocycles as serotonin receptor agonists and antagonists HTR2B, HTR2C, HTR1A MAPT 2411/4885KDM4E 3626/4885MEN1 2162/4885

“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.