SCHEMBL1226161

SCHEMBL1226161

c1ccc2c(c1)N[C@@H]1CCNC[C@H]21

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 10/20 0.42
HTR2A P28223 8/20 0.42
HTR2B P41595 8/20 0.42
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
PARP1 P09874 1/20 0.36
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 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
SCHEMBL1226267 1.00 HTR2C (0.42) HTR2CHTR2AHTR2BLMNATSHR
SCHEMBL292288 1.00 HTR2C (0.42) HTR2CHTR2AHTR2BLMNATSHR
SCHEMBL1226165 1.00 HTR2C (0.42) HTR2CHTR2AHTR2BLMNATSHR
SCHEMBL1226270 1.00 HTR2C (0.42) HTR2CHTR2AHTR2BLMNATSHR
SCHEMBL620204 0.90 LMNA (0.45) HTR2CHTR2AHTR2BLMNATSHR
SCHEMBL620226 0.90 LMNA (0.45) HTR2CHTR2AHTR2BLMNATSHR
SCHEMBL620225 0.90 LMNA (0.45) HTR2CHTR2AHTR2BLMNATSHR
SCHEMBL626149 0.90 LMNA (0.45) HTR2CHTR2AHTR2BLMNATSHR
SCHEMBL626148 0.90 LMNA (0.45) HTR2CHTR2AHTR2BLMNATSHR
SCHEMBL6787733 0.87 HTR2C (0.42) HTR2CLMNATSHRPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110039825-A1 LIGANDS OF ALPHA-ADRENOCEPTORS, DOPAMINE, HISTAMINE, IMIDAZOLINE AND SEROTONIN RECEPTORS AND THEIR USE ALLA CHEM, LLC (US) 2011-02-17 US claimed
EP-2236511-A2 LIGANDS OF ALPHA-ADRENOCEPTORS AND OF DOPAMINE, HISTAMINE, IMIDAZOLINE AND SEROTONIN RECEPTORS AND THE USE THEREOF Alla Chem, LLC. (US) 2010-10-06 EP claimed
US-20110039825-A1 LIGANDS OF ALPHA-ADRENOCEPTORS, DOPAMINE, HISTAMINE, IMIDAZOLINE AND SEROTONIN RECEPTORS AND THEIR USE ALLA CHEM, LLC (US) 2011-02-17 US disclosed
EP-2236511-A2 LIGANDS OF ALPHA-ADRENOCEPTORS AND OF DOPAMINE, HISTAMINE, IMIDAZOLINE AND SEROTONIN RECEPTORS AND THE USE THEREOF Alla Chem, LLC. (US) 2010-10-06 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-20110039825-A1 LIGANDS OF ALPHA-ADRENOCEPTORS, DOPAMINE, HISTAMINE, IMIDAZOLINE AND SEROTONIN RECEPTORS AND THEIR USE ADRB3, ADRA2C, ADRB2 HTR2C 10/4885HTR2A 51/4885HTR2B 27/4885

“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.