SCHEMBL2869241

SCHEMBL2869241

Clc1ccc(CC2=NCCN2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 6/20 0.69
TAAR1 Q96RJ0 5/20 0.68
ADRA2A P08913 2/20 0.68
ADRA2B P18089 2/20 0.68
ADRA2C P18825 2/20 0.68
ADRA1D P25100 2/20 0.68
ADRA1A P35348 2/20 0.68
ADRA1B P35368 2/20 0.68
CYP2D6 P10635 2/20 0.68
LMNA P02545 2/20 0.68
CYP1A2 P05177 1/20 0.68
TSHR P16473 1/20 0.68
HTR1B P28222 4/20 0.68
RAD52 P43351 1/20 0.58
NFKB1 P19838 1/20 0.57
PTGIR P43119 1/20 0.54
RECQL P46063 1/20 0.49
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
NISCH Q9Y2I1 1/20 0.47

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
SCHEMBL3178397 0.84 MAOA (0.69) HTR1DTAAR1ADRA2AADRA2BADRA2C
SCHEMBL4037274 0.83 HTR1D (0.71) HTR1DTAAR1ADRA2AADRA2BADRA2C
SCHEMBL953972 0.81 RAD52 (0.82) HTR1DTAAR1ADRA2AADRA2BADRA2C
SCHEMBL9393147 0.81 HTR1D (0.69) HTR1DTAAR1ADRA2AADRA2BADRA2C
Tolazoline SCHEMBL34961 0.81 TAAR1 (1.00) HTR1DTAAR1ADRA2AADRA2BADRA2C
SCHEMBL10846015 0.81 TAAR1 (0.72) HTR1DTAAR1ADRA2AADRA2BADRA2C
SCHEMBL27738615 0.81 HTR1D (0.63) HTR1DTAAR1ADRA2AADRA2BADRA2C
SCHEMBL953553 0.81 TAAR1 (0.60) HTR1DTAAR1ADRA2AADRA2BADRA2C
SCHEMBL8154758 0.81 HTR1D (1.00) HTR1DTAAR1ADRA2AADRA2BADRA2C
SCHEMBL7007927 0.80 HTR1D (0.57) HTR1DTAAR1ADRA2AADRA2BADRA2C

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-20230312524-A1 ALPHA1A-ADRENERGIC RECEPTOR AGONISTS AND METHODS OF USE CURASEN THERAPEUTICS, INC. 2023-10-05 US disclosed
WO-2010016620-A1 SURFACE TREATING AGENT FOR COPPER OR COPPER ALLOY AND USE THEREOF SHIKOKU CHEMICALS CORPORATION (JP) 2010-02-11 WO disclosed
US-5070086-A ANTIALLERGY, ANTIINFLAMMATORY, ANTIPSORIASIS SCHERING CORPORATION (US) 1991-12-03 US disclosed
EP-0325048-A1 Imidazo- and pyrimido-quinoline, naphthyridine and pyridopyrazine compounds SCHERING CORPORATION (US) 1989-07-26 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-20230312524-A1 ALPHA1A-ADRENERGIC RECEPTOR AGONISTS AND METHODS OF USE ADRA1A, ADRB1, ADRA1D HTR1D 47/4885TAAR1 26/4885ADRA2A 5/4885

“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.