SCHEMBL5935293

SCHEMBL5935293

c1ccc2sc(CCN3CCCC(N4CCCCC4)C3)cc2c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.50
CHRNA7 P36544 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
PDE2A O00408 1/20 0.41
CYP2A6 P11509 1/20 0.40
ASIC3 Q9UHC3 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
HTR7 P34969 4/20 0.40
KDM2B Q8NHM5 1/20 0.40
HTR6 P50406 1/20 0.40
DRD2 P14416 1/20 0.39
SLC6A4 P31645 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
SCHEMBL5935256 0.99 SIGMAR1 (0.51) SIGMAR1CHRNA7HRH3PDE2ACYP2A6
SCHEMBL5935243 0.94 SIGMAR1 (0.43) SIGMAR1CHRNA7CYP2A6ASIC3LOXL2
SCHEMBL5935218 0.93 SIGMAR1 (0.44) SIGMAR1CHRNA7CYP2A6ASIC3LOXL2
SCHEMBL5935212 0.77 SIGMAR1 (0.66) SIGMAR1HRH3SLC6A4
SCHEMBL5935285 0.77 CHRNA7 (0.47) CHRNA7HRH3PDE2ACYP2A6ASIC3
Isopropyl Alcohol SCHEMBL4850277 0.75 CYP2A6 (0.46) HRH3CYP2A6ASIC3LOXL2DRD2
SCHEMBL5935295 0.74 CHRNA7 (0.55) SIGMAR1CHRNA7HRH3PDE2ACYP2A6
SCHEMBL5935223 0.74 CHRNA7 (0.55) SIGMAR1CHRNA7HRH3PDE2ACYP2A6
SCHEMBL5935257 0.73 HTR1A (0.54) SIGMAR1CHRNA7HRH3PDE2ACYP2A6
SCHEMBL10238584 0.72 FAAH (0.56) SIGMAR1PDE2ACYP2A6ASIC3LOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060004036-A1 Sigma-2 receptor agonists and their use in the treatment of HIV infection THE UNITED STATES OF AMERICA, PER SECY. DHHS, NIH (US) 2006-01-05 US disclosed
WO-2004064775-A2 SIGMA-2 RECEPTOR AGONISTS AND THEIR USE IN THE TREATMENT OF HIV INFECTION THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2004-08-05 WO disclosed
US-5656625-A ANTIISCHEMIC AGENT, PSYCHOLOGICAL DISORDER, ANTICONVULSANT THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1997-08-12 US disclosed
US-5346908-A Anticonvulsant NATIONAL INSTITUTES OF HEALTH (US) 1994-09-13 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-20060004036-A1 Sigma-2 receptor agonists and their use in the treatment of HIV infection TMEM97, SIGMAR1, CNR1 SIGMAR1 2/4885CHRNA7 456/4885HRH3 212/4885

“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.