SCHEMBL7072069

SCHEMBL7072069

N=C(NC(=O)C1CCc2ccccc2C1)NC(=O)C1CCc2ccccc2C1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.52
GHSR Q92847 1/20 0.52
MTNR1A P48039 4/20 0.47
MTNR1B P49286 4/20 0.47
FAAH O00519 2/20 0.47
NPY5R Q15761 3/20 0.46
GBA1 P04062 1/20 0.42
PLAU P00749 1/20 0.42
F2 P00734 1/20 0.41

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
SCHEMBL6941196 0.89 P2RX7 (0.49) P2RX7GHSRMTNR1AMTNR1BFAAH
SCHEMBL366547 0.83 P2RX7 (0.55) P2RX7GHSRMTNR1AMTNR1BFAAH
SCHEMBL6584070 0.81 P2RX7 (0.53) P2RX7GHSRMTNR1AMTNR1BFAAH
SCHEMBL8569917 0.81 GHSR (0.57) P2RX7GHSRMTNR1AMTNR1BFAAH
SCHEMBL6584064 0.81 P2RX7 (0.53) P2RX7GHSRMTNR1AMTNR1BFAAH
SCHEMBL7072071 0.79 P2RX7 (0.46) P2RX7GHSRMTNR1AMTNR1BFAAH
SCHEMBL6642213 0.79 GHSR (0.69) P2RX7GHSR
SCHEMBL25518906 0.78 GHSR (0.53) P2RX7GHSRMTNR1AMTNR1BFAAH
SCHEMBL6534185 0.77 FAAH (0.53) P2RX7GHSRMTNR1AMTNR1BFAAH
SCHEMBL6427539 0.77 FAAH (0.53) P2RX7GHSRMTNR1AMTNR1BFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040044081-A1 Diacyl-substituted guanidines, a process for their preparation, their use as medicament or diagnostic aid, and medicament containing them HOECHST AKTIENGESELLSCHAFT 2004-03-04 US disclosed
US-6632840-B1 Inhibiting the Na+/H+ exchanger, treating at least one of arrhythmias and shock HOECHST AKTIENGESELLSCHAFT (DE) 2003-10-14 US disclosed
US-6436999-B1 REACTING GUANIDINE AND CARBOCYCLIC ACIDS, TO FORM COMPOUNDS LIKE BIS(3-METHYLSULFONYL-4-I-PROPYLBENZOYL)GUANIDINE, USED FOR PROPHYLAXIS OF CARDIOVASCULAR DISORDERS AND AS PRODRUGS FOR SODIUM CHANNEL MODULATORS TO CONTROL BLOOD PRESSURE HOECHST AKTIENGESELLSCHAFT (DE) 2002-08-20 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-20040044081-A1 Diacyl-substituted guanidines, a process for their preparation, their use as medicament or diagnostic aid, and medicament containing them ADRA1B, ADRA1A, HYOU1 P2RX7 1876/4885GHSR 1452/4885MTNR1A 708/4885

“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.