SCHEMBL14409583

SCHEMBL14409583

C[C@H](N)Cn1ccc2ncccc21

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 16/20 0.58
HTR2A P28223 13/20 0.58
HTR2B P41595 3/20 0.58
NR3C1 P04150 1/20 0.46
NR3C2 P08235 1/20 0.46
RPS6KA5 O75582 1/20 0.45
MET P08581 1/20 0.43
P2RX7 Q99572 1/20 0.42

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
SCHEMBL18926931 0.87 RPS6KA5 (0.47) HTR2CHTR2AHTR2BNR3C1NR3C2
SCHEMBL12640059 0.78 RPS6KA5 (0.52) NR3C1NR3C2RPS6KA5METP2RX7
SCHEMBL14408911 0.77 APAF1 (0.63)
SCHEMBL14409582 0.75 MET (0.52) RPS6KA5METP2RX7
SCHEMBL25818055 0.74 HTR2C (0.56) HTR2CHTR2AHTR2B
SCHEMBL25818081 0.74 HTR2C (0.65) HTR2CHTR2AHTR2BP2RX7
SCHEMBL31609660 0.74 RPS6KA5 (0.52) NR3C1NR3C2RPS6KA5METP2RX7
SCHEMBL6603614 0.74 HTR2C (1.00) HTR2CHTR2AHTR2B
SCHEMBL6605040 0.74 HTR2C (1.00) HTR2CHTR2AHTR2B
SCHEMBL6604307 0.74 HTR2C (1.00) HTR2CHTR2AHTR2B

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-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

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 HTR2C 775/4885HTR2A 2609/4885HTR2B 1058/4885

“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.