SCHEMBL17829970

SCHEMBL17829970

Cc1[nH]c2ccc(Cl)cc2c1CN(C)C

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.75
HTR7 P34969 2/20 0.75
ADRA2A P08913 1/20 0.75
ADRA2B P18089 1/20 0.75
ADRA2C P18825 1/20 0.75
HTR2B P41595 1/20 0.75
MAPT P10636 3/20 0.60
CYP3A4 P08684 1/20 0.60
CYP1A2 P05177 2/20 0.56
CYP2D6 P10635 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
PDE10A Q9Y233 1/20 0.56
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
ALDH1A1 P00352 3/20 0.50
POLB P06746 1/20 0.50
HPGD P15428 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HSD17B10 Q99714 1/20 0.48
HTR1A P08908 1/20 0.48

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
SCHEMBL1817642 0.86 HTR6 (1.00) HTR6HTR7ADRA2AADRA2BADRA2C
SCHEMBL24358704 0.83 HTR6 (0.65) HTR6HTR7ADRA2AADRA2BADRA2C
SCHEMBL18370061 0.81 HTR6 (0.63) HTR6HTR7ADRA2AADRA2BADRA2C
SCHEMBL1721110 0.80 ADRA2A (0.50) HTR6HTR7ADRA2AADRA2BADRA2C
SCHEMBL28750432 0.79 HTR6 (0.68) HTR6HTR7ADRA2AADRA2BADRA2C
SCHEMBL30867192 0.79 HTR7 (0.68) HTR6HTR7ADRA2AADRA2BADRA2C
SCHEMBL23259127 0.79 HTR7 (0.60) HTR6HTR7ADRA2AADRA2BADRA2C
SCHEMBL23657217 0.78 HTR6 (0.67) HTR6HTR7ADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL892350 0.78 HTR6 (0.67) HTR6HTR7ADRA2AADRA2BADRA2C
SCHEMBL11488806 0.78 HTR6 (0.76) HTR6HTR7MAPTCYP3A4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS (US) 2016-06-16 US disclosed
US-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS (US) 2016-06-16 US disclosed
WO-2016094730-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS, INC. (US) 2016-06-16 WO 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-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS FOS, FOSB, YAP1 HTR6 4056/4885HTR7 3904/4885ADRA2A 3940/4885

“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.