SCHEMBL9760728

SCHEMBL9760728

CNCCN(C)c1ccncc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.46
CHKA P35790 1/20 0.46
ROCK1 Q13464 1/20 0.40
PRMT3 O60678 1/20 0.39
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
PRMT1 Q99873 1/20 0.39
PRMT8 Q9NR22 1/20 0.39
NOS1 P29475 4/20 0.38
NOS2 P35228 4/20 0.38
NOS3 P29474 1/20 0.38
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
F2 P00734 1/20 0.35
SLC6A2 P23975 1/20 0.34

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
SCHEMBL18190230 0.89 CHRM5 (0.43) CHRM5CHKASLC6A2
SCHEMBL1268616 0.79 TAAR1 (0.45) PRMT3CARM1PRMT6PRMT1PRMT8
SCHEMBL8281666 0.77 CHRM5 (0.52) CHRM5CHKASLC6A2
SCHEMBL14409566 0.77 CHRM5 (0.52) CHRM5CHKAMAPTSMN1; SMN2F2
SCHEMBL22542431 0.76 TMEM97 (0.48) PRMT3CARM1PRMT6PRMT1PRMT8
SCHEMBL6241015 0.76 ALDH1A1 (0.46) PRMT3CARM1PRMT6PRMT1PRMT8
SCHEMBL28320582 0.76 PRMT1 (0.39) PRMT3CARM1PRMT6PRMT1PRMT8
SCHEMBL5542550 0.76 PRMT1 (0.48) CHRM5PRMT1NOS1NOS2SMN1; SMN2
SCHEMBL25963028 0.75 NOS1 (0.39) PRMT3CARM1PRMT6PRMT1PRMT8
Hydrochloric Acid SCHEMBL5395464 0.75 CHRM5 (0.50) CHRM5CHKASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070219191-A1 3-Pyridinium Methyl Cephem Compound SHIONOGI & CO., LTD. (JP) 2007-09-20 US disclosed
US-20070219191-A1 3-Pyridinium Methyl Cephem Compound SHIONOGI & CO., LTD. (JP) 2007-09-20 US disclosed
US-5057528-A AMINO-PYRIDINE COMPOUNDS USEFUL AS ANTI-ARRHYTHMIC AGENTS PFIZER INC. (US) 1991-10-15 US disclosed
US-4968704-A PROLONG DURATION OF ACTION POTENTIAL IN CARDIAC MUSCLE AND CONDUCTING TISSUE PFIZER INC. (US) 1990-11-06 US disclosed
EP-0359389-A1 Antiarrhythmic agents Pfizer Limited (GB) 1990-03-21 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-20070219191-A1 3-Pyridinium Methyl Cephem Compound ABL1, CRKL, MGMT CHRM5 338/4885CHKA 201/4885ROCK1 3067/4885

“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.