SCHEMBL13633921

SCHEMBL13633921

c1ccc2c(c1)NC1CNC[C@@H]21

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 19/20 0.59
HTR2C P28335 19/20 0.59
HTR2B P41595 19/20 0.59
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 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
SCHEMBL1173167 1.00 HTR2A (0.59) HTR2AHTR2CHTR2BCHRNB4CHRNA3
SCHEMBL1173166 1.00 HTR2A (0.59) HTR2AHTR2CHTR2BCHRNB4CHRNA3
SCHEMBL1173164 1.00 HTR2A (0.59) HTR2AHTR2CHTR2BCHRNB4CHRNA3
SCHEMBL1226267 0.83 HTR2C (0.42) HTR2AHTR2CHTR2BCHRNB4CHRNA3
SCHEMBL1226161 0.83 HTR2C (0.42) HTR2AHTR2CHTR2BCHRNB4CHRNA3
SCHEMBL244301 0.83 HTR2C (0.42) HTR2AHTR2CHTR2BCHRNB4CHRNA3
SCHEMBL1226270 0.83 HTR2C (0.42) HTR2AHTR2CHTR2BCHRNB4CHRNA3
SCHEMBL292288 0.83 HTR2C (0.42) HTR2AHTR2CHTR2BCHRNB4CHRNA3
SCHEMBL1226165 0.83 HTR2C (0.42) HTR2AHTR2CHTR2BCHRNB4CHRNA3
SCHEMBL31647704 0.81 HTR2C (0.47) HTR2AHTR2CHTR2BCHRNB4CHRNA3

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-20090275753-A1 ORTHO-SUBSTITUTED ANILINE DERIVATIVE AND ANTIOXIDANT DRUG NIPPON SODA CO., LTD. (JP) 2009-11-05 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-20090275753-A1 ORTHO-SUBSTITUTED ANILINE DERIVATIVE AND ANTIOXIDANT DRUG NFE2L2, OXSR1, AOX1 HTR2A 3593/4885HTR2C 3999/4885HTR2B 3006/4885

“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.