SCHEMBL6370959

SCHEMBL6370959

CN(N)CCCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 4/20 1.00
SIGMAR1 Q99720 6/20 0.62
CHRM2 P08172 1/20 0.59
HTR1A P08908 1/20 0.59
ADRA2A P08913 1/20 0.59
CHRM1 P11229 1/20 0.59
DRD1 P21728 1/20 0.59
SLC6A2 P23975 1/20 0.59
SLC6A4 P31645 1/20 0.59
ADRA1A P35348 1/20 0.59
OPRM1 P35372 1/20 0.59
DRD3 P35462 1/20 0.59
SLC6A3 Q01959 1/20 0.59
KCNH2 Q12809 1/20 0.59
TAAR1 Q96RJ0 1/20 0.56

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
Hydrochloric Acid SCHEMBL17064284 0.98 AOC3 (0.96) AOC3SIGMAR1CHRM2HTR1AADRA2A
SCHEMBL28166588 0.94 AOC3 (0.88) AOC3SIGMAR1CHRM2HTR1AADRA2A
SCHEMBL8817598 0.86 AOC3 (1.00) AOC3SIGMAR1TAAR1
Hydrochloric Acid SCHEMBL17064263 0.84 AOC3 (0.95) AOC3SIGMAR1TAAR1
SCHEMBL119103 0.82 SIGMAR1 (0.83) AOC3SIGMAR1CHRM2HTR1AADRA2A
SCHEMBL12902332 0.82 SIGMAR1 (0.88) AOC3SIGMAR1CHRM2HTR1AADRA2A
Bromide SCHEMBL5091341 0.80 SIGMAR1 (0.80) AOC3SIGMAR1CHRM2HTR1AADRA2A
Iodide SCHEMBL5088132 0.80 SIGMAR1 (0.80) AOC3SIGMAR1CHRM2HTR1AADRA2A
Hydrochloric Acid SCHEMBL5091388 0.80 SIGMAR1 (0.80) AOC3SIGMAR1CHRM2HTR1AADRA2A
Water SCHEMBL11773331 0.80 SIGMAR1 (0.80) AOC3SIGMAR1CHRM2HTR1AADRA2A

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-20050209446-A1 Novel 15-membered cyclic azalide, novel 16-membered cyclic diazalide derivative, and process for producing these MEIJI SEIKA KAISHA LTD. (JP) 2005-09-22 US disclosed
EP-1479687-A1 NOVEL 15-MEMBERED CYCLIC AZALIDE, NOVEL 16-MEMBERED CYCLIC DIAZALIDE DERIVATIVE, AND PROCESS FOR PRODUCING THESE MEIJI SEIKA KAISHA LTD. (JP) 2004-11-24 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-20050209446-A1 Novel 15-membered cyclic azalide, novel 16-membered cyclic diazalide derivative, and process for producing these PRMT9, DHRS9, MRPL9 AOC3 1525/4885SIGMAR1 2237/4885CHRM2 1056/4885

“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.