SCHEMBL8957667

SCHEMBL8957667

Fc1ccc(C(NCCN2CCNCC2)c2ccc(F)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.57
SLC6A2 P23975 4/20 0.47
SLC6A4 P31645 4/20 0.47
SLC6A3 Q01959 3/20 0.47
KCNH2 Q12809 2/20 0.47
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
ACHE P22303 2/20 0.41
SCN5A Q14524 1/20 0.41
MC4R P32245 1/20 0.40

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
SCHEMBL4494058 0.84 SIGMAR1 (0.55) SIGMAR1SLC6A2SLC6A4CYP3A4CYP2D6
SCHEMBL5752131 0.78 SIGMAR1 (0.53) SIGMAR1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL7296899 0.76 SIGMAR1 (0.61) SIGMAR1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4492195 0.76 SIGMAR1 (0.54) SIGMAR1CYP3A4
SCHEMBL2268114 0.74 SIGMAR1 (0.58) SIGMAR1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL11338768 0.74 SIGMAR1 (0.58) SIGMAR1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL27914058 0.74 CYP3A4 (0.68) SIGMAR1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL16011794 0.73 SLC6A3 (0.63) SIGMAR1SLC6A3
SCHEMBL7409590 0.73 SIGMAR1 (1.00) SIGMAR1SLC6A2SLC6A4SLC6A3KCNH2
Hydrochloric Acid SCHEMBL8627527 0.73 MEN1 (0.58) SIGMAR1SLC6A2SLC6A4SLC6A3KCNH2

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
US-5574031-A Piperazine carboxamides PHARMACIA AKTIEBOLAG (SE) 1996-11-12 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 SIGMAR1 409/4885SLC6A2 3677/4885SLC6A4 4285/4885

“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.