SCHEMBL8725812

SCHEMBL8725812

Fc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.75
LMNA P02545 1/20 0.66
POLB P06746 1/20 0.66
KDM4E B2RXH2 2/20 0.64
BCHE P06276 1/20 0.64
ACHE P22303 1/20 0.64
BACE1 P56817 1/20 0.64
HTT P42858 1/20 0.64
MC4R P32245 1/20 0.62
GAA P10253 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
ATM Q13315 1/20 0.60
FAAH O00519 1/20 0.60

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
SCHEMBL8117468 0.91 MAPT (0.67) SIGMAR1KDM4E
SCHEMBL7512967 0.87 DRD4 (0.77) SIGMAR1POLBKDM4EGAAL3MBTL1
SCHEMBL242970 0.87 SIGMAR1 (1.00) SIGMAR1LMNAPOLBACHEMC4R
SCHEMBL8188324 0.87 SIGMAR1 (1.00) SIGMAR1LMNAPOLBACHEMC4R
SCHEMBL576868 0.87 SIGMAR1 (1.00) SIGMAR1LMNAPOLBACHEMC4R
SCHEMBL2489199 0.87 SIGMAR1 (1.00) SIGMAR1LMNAPOLBACHEMC4R
SCHEMBL1415730 0.87 SIGMAR1 (1.00) SIGMAR1LMNAPOLBACHEMC4R
SCHEMBL1041303 0.87 SIGMAR1 (1.00) SIGMAR1LMNAPOLBACHEMC4R
SCHEMBL16227001 0.87 CCR3 (0.73) SIGMAR1LMNAKDM4EHTTMEN1
SCHEMBL16225775 0.85 TSHR (0.62) SIGMAR1BCHEACHEBACE1

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-20140335050-A1 METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF CANCER THE GENERAL HOSPITAL CORPORATION (US) 2014-11-13 US disclosed
EP-0816310-A2 Scavenger assisted combinatorial process for preparing libraries of tertiary amine compounds ELI LILLY AND COMPANY (US) 1998-01-07 EP 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 SIGMAR1 409/4885LMNA 3207/4885POLB 3364/4885

“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.