SCHEMBL6032869

SCHEMBL6032869

CN(C)CCNc1ccncc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.50
BCHE P06276 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
RAD52 P43351 1/20 0.44
PRKCI P41743 2/20 0.43
F2 P00734 1/20 0.41
CTSD P07339 1/20 0.41
NCF1 P14598 2/20 0.41
NAMPT P43490 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
GAA P10253 1/20 0.39
ALPG P10696 1/20 0.39
DNM2 P50570 2/20 0.39
MALT1 Q9UDY8 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
SCHEMBL18290331 0.80 ADRA2B (0.40) CYP2C19BCHEHRH3RAD52PRKCI
SCHEMBL171395 0.78 ALDH1A1 (0.56) CYP2C19ALDH1A1NCF1NOS1NOS2
SCHEMBL12468898 0.77 CYP2C19 (0.45) CYP2C19HRH3KDM4ENCF1GAA
SCHEMBL3210499 0.77 CHRNA7 (0.51) CYP2C19HRH3GAA
SCHEMBL10798745 0.77 TAAR1 (0.52) CYP2C19NOS2
SCHEMBL81430 0.77 MAPT (0.67) CYP2C19HRH3KDM4EALDH1A1POLB
SCHEMBL18066566 0.76 HRH3 (0.47) CYP2C19HRH3KDM4ENOS1NOS2
SCHEMBL3223115 0.76 CTSD (0.46) BCHEKDM4EALDH1A1RAD52F2
SCHEMBL14985489 0.76 CTSD (0.46) BCHEKDM4EALDH1A1RAD52F2
SCHEMBL7054279 0.76 LIMK1 (0.51) F2CTSD

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 6 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-7049285-B2 Biocompatible polymers including peptide spacer BIOPOLYMED INC. (KR) 2006-05-23 US disclosed
US-20030185798-A1 Biocompatible polymers including peptide spacer BIOPOLYMED INC. (KR) 2003-10-02 US disclosed
WO-2003037915-A1 BIOCOMPATIBLE POLYMERS INCLUDING PEPTIDE SPACER BIOPOLYMED INC. (KR) 2003-05-08 WO disclosed
US-4203988-A ANTISECRETORY AGENTS MERCK & CO., INC. (US) 1980-05-20 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 (2 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-20030185798-A1 Biocompatible polymers including peptide spacer EEA1, SLC7A1, CD47 CYP2C19 3197/4885BCHE 3139/4885HRH3 915/4885
US-20070219191-A1 3-Pyridinium Methyl Cephem Compound ABL1, CRKL, MGMT CYP2C19 358/4885BCHE 828/4885HRH3 34/4885

“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.