SCHEMBL16225806

SCHEMBL16225806

NC[C@@H](c1ccc(F)cc1)N1CCC(Cc2ccccc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.55
SLC6A4 P31645 2/20 0.55
SLC6A3 Q01959 2/20 0.55
GRIN2B Q13224 6/20 0.51
ADRA2A P08913 5/20 0.51
HTR2A P28223 5/20 0.51
ADRA1A P35348 5/20 0.51
HTR2B P41595 4/20 0.51
GRIN1 Q05586 4/20 0.51
SIGMAR1 Q99720 3/20 0.51
GRIN2D O15399 2/20 0.51
HTR1A P08908 2/20 0.51
GRIN2A Q12879 2/20 0.51
GRIN2C Q14957 2/20 0.51
LMNA P02545 1/20 0.51
ADRB1 P08588 1/20 0.51
DRD2 P14416 1/20 0.51
ADRA2B P18089 1/20 0.51
ADRA2C P18825 1/20 0.51
HRH1 P35367 1/20 0.51

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
SCHEMBL16226652 1.00 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3GRIN2BADRA2A
SCHEMBL16226921 0.84 PRMT3 (0.52) SLC6A2SLC6A4SLC6A3GRIN2BADRA2A
SCHEMBL16225797 0.84 PRMT3 (0.52) SLC6A2SLC6A4SLC6A3GRIN2BADRA2A
SCHEMBL5759913 0.80 PRMT3 (0.56) SLC6A2SLC6A4SLC6A3GRIN2BADRA2A
SCHEMBL16226491 0.78 KDM4E (0.58) SLC6A3SIGMAR1RAB9ATSHRMEN1
SCHEMBL16226668 0.78 KDM4E (0.58) SLC6A3SIGMAR1RAB9ATSHRMEN1
Hydrochloric Acid SCHEMBL5756735 0.78 PRMT3 (0.55) SLC6A2SLC6A4SLC6A3GRIN2BADRA2A
Hydrochloric Acid SCHEMBL28772274 0.78 OPRM1 (0.48) SLC6A2SLC6A4SLC6A3GRIN2BADRA2A
SCHEMBL3471054 0.75 RPS6KB1 (0.51) LMNACYP1A2CYP3A4CYP2D6TSHR
SCHEMBL21752110 0.74 TP53 (0.63) SLC6A2SLC6A4SLC6A3GRIN2BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140335050-A1 METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF CANCER THE GENERAL HOSPITAL CORPORATION (US) 2014-11-13 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-20140335050-A1 METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF CANCER IL2RA, CD74, IL2 SLC6A2 3677/4885SLC6A4 4285/4885SLC6A3 2826/4885

“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.