SCHEMBL18223045

SCHEMBL18223045

NCCCNC(CCN)Cc1ccc(-c2cc(CC(CCN)NCCCN)cc(CC(CCN)NCCCN)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.38
▸ CNR1 P21554 1/20 0.35
▸ MC4R P32245 1/20 0.31
▸ MC5R P33032 1/20 0.31
▸ MC3R P41968 1/20 0.31
▸ OPRK1 P41145 2/20 0.31
▸ MME P08473 1/20 0.30
▸ OPRD1 P41143 1/20 0.30

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
SCHEMBL16247194 0.90 MAOB (0.37) SIGMAR1MME
SCHEMBL16428941 0.90 SIGMAR1 (0.43) SIGMAR1MC4RMC5RMC3R
Hydrochloric Acid SCHEMBL16247175 0.89 SIGMAR1 (0.42) SIGMAR1
SCHEMBL16266913 0.87 SIGMAR1 (0.45) SIGMAR1CNR1MC4RMC5RMC3R
SCHEMBL18223038 0.87 SIGMAR1 (0.38) SIGMAR1CNR1MC4RMC5RMC3R
SCHEMBL16429460 0.87 PRKCD (0.36) SIGMAR1
SCHEMBL18223042 0.86 SIGMAR1 (0.39) SIGMAR1MC4RMC5RMC3R
SCHEMBL16429108 0.85 CHRNB2 (0.39) SIGMAR1MC4RMC5RMC3R
SCHEMBL16429474 0.85 PRMT3 (0.40) SIGMAR1
SCHEMBL16429512 0.82 SYK (0.44) —

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-20160330962-A1 COMPOSITIONS COMPRISING A BIOCIDAL POLYAMINE CURZA GLOBAL, LLC 2016-11-17 — — 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-20160330962-A1 COMPOSITIONS COMPRISING A BIOCIDAL POLYAMINE SRM, SMS, SMOX SIGMAR1 1551/4885CNR1 4006/4885MC4R 4796/4885

“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.

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