SCHEMBL3090416

SCHEMBL3090416

c1ccc2c(C3OC(CN4CCCCC4)C(CN4CCCCC4)O3)cccc2c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 4/20 0.48
ADRA1A P35348 2/20 0.44
SLC6A4 P31645 3/20 0.43
HRH3 Q9Y5N1 5/20 0.42
DRD2 P14416 1/20 0.42
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
HTR2A P28223 2/20 0.40
HTR7 P34969 2/20 0.40
HTR6 P50406 2/20 0.40
LMNA P02545 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL5650876 0.74 KDM4E (0.45) ABCB1SLC6A4HRH3DRD2LMNA
SCHEMBL27843034 0.73 EPHX1 (0.44) SLC6A4DRD2SLC6A2SLC6A3KDM4E
SCHEMBL23914107 0.71 HRH3 (0.40) ABCB1ADRA1ASLC6A4HRH3DRD2
SCHEMBL23913811 0.69 ALDH1A1 (0.40) ABCB1SLC6A4HRH3DRD2LMNA
Hydrochloric Acid SCHEMBL7256239 0.68 DRD2 (0.68) SLC6A4HRH3DRD2HTR2AHTR7
SCHEMBL5329929 0.66 KDM1A (0.47) SLC6A4DRD2LMNASLC6A2SLC6A3
SCHEMBL5699414 0.66 KDM1A (0.50) SLC6A4DRD2LMNASLC6A2SLC6A3
SCHEMBL694466 0.66 KDM1A (0.50) SLC6A4DRD2LMNASLC6A2SLC6A3
SCHEMBL807336 0.65 ACHE (0.66) DRD2CRHBPCRHR2LMNAKDM4E
SCHEMBL19419117 0.65 EPHX1 (0.45) SLC6A4LMNASLC6A2SLC6A3KDM4E

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-8227645-B2 Cyclisation process of forming a multiple ring compound NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2012-07-24 US disclosed
US-20100228058-A1 CYCLISATION PROCESS OF FORMING A MULTIPLE RING COMPOUND NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2010-09-09 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-20100228058-A1 CYCLISATION PROCESS OF FORMING A MULTIPLE RING COMPOUND DHPS, GGPS1, COASY ABCB1 4098/4885ADRA1A 3581/4885SLC6A4 4830/4885

“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.