SCHEMBL16224765

SCHEMBL16224765

OC1NCc2cccc3cccc1c23

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.40
MTNR1A P48039 10/20 0.38
MTNR1B P49286 10/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
TSHR P16473 2/20 0.38
CYP3A4 P08684 1/20 0.38
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
HSD17B10 Q99714 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
APP P05067 1/20 0.34
CYP1A2 P05177 1/20 0.34
GAA P10253 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 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
SCHEMBL29568322 0.78 CHRNB2 (0.44) ADRA2AADRA2BADRA2CTSHRCYP3A4
SCHEMBL359803 0.78 CHRNB2 (0.44) ADRA2AADRA2BADRA2CTSHRCYP3A4
SCHEMBL14395237 0.78 CHRNB2 (0.44) ADRA2AADRA2BADRA2CTSHRCYP3A4
Hydrochloric Acid SCHEMBL27585427 0.76 MAPT (0.44) ADRA2AADRA2BADRA2CTSHRCYP3A4
Bromide SCHEMBL3966126 0.76 CHRNB2 (0.42) ADRA2AADRA2BADRA2CTSHRCYP3A4
SCHEMBL24329565 0.76 PNMT (0.33) CYP1A2
SCHEMBL10802574 0.72 MTNR1A (0.39) PARP1MTNR1AMTNR1BADRA2AADRA2B
SCHEMBL3069045 0.71 PARP1 (0.38) PARP1MTNR1AMTNR1BADRA2AADRA2B
SCHEMBL16213289 0.71 MEN1 (0.40) PARP1TSHRCYP3A4HSD17B10MEN1
SCHEMBL7883274 0.71 MTNR1A (0.47) MTNR1AMTNR1BADRA2AADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10011714-B2 Monolayer carbon dioxide barrier PET bottles PLASTIPAK PACKAGING, INC. (US) 2018-07-03 US disclosed
US-20170290820-A1 METHODS AND COMPOSITIONS FOR TREATING BETA-THALASSEMIA AND SICKLE CELL DISEASE ACADEMIA SINICA (TW) 2017-10-12 US disclosed
US-9662324-B2 Methods and compositions for treating β-thalassemia and sickle cell disease ACADEMIA SINICA (TW) 2017-05-30 US disclosed
US-9662324-B2 Methods and compositions for treating β-thalassemia and sickle cell disease ACADEMIA SINICA (TW) 2017-05-30 US disclosed
US-9662324-B2 Methods and compositions for treating β-thalassemia and sickle cell disease ACADEMIA SINICA (TW) 2017-05-30 US disclosed
US-20160106728-A1 METHODS AND COMPOSITIONS FOR TREATING BETA-THALASSEMIA AND SICKLE CELL DISEASE ACADEMIA SINICA (TW) 2016-04-21 US disclosed
US-20160106728-A1 METHODS AND COMPOSITIONS FOR TREATING BETA-THALASSEMIA AND SICKLE CELL DISEASE ACADEMIA SINICA (TW) 2016-04-21 US disclosed
US-20160106728-A1 METHODS AND COMPOSITIONS FOR TREATING BETA-THALASSEMIA AND SICKLE CELL DISEASE ACADEMIA SINICA (TW) 2016-04-21 US disclosed
WO-2014179567-A2 METHODS AND COMPOSITIONS FOR TREATING BETA-THALASSEMIA AND SICKLE CELL DISEASE ACADEMIA SINICA (TW) 2014-11-06 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 (2 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-20170290820-A1 METHODS AND COMPOSITIONS FOR TREATING BETA-THALASSEMIA AND SICKLE CELL DISEASE HBB, HBZ, HBG1 PARP1 3307/4885MTNR1A 4410/4885MTNR1B 3397/4885
US-20160106728-A1 METHODS AND COMPOSITIONS FOR TREATING BETA-THALASSEMIA AND SICKLE CELL DISEASE HBB, HBZ, HBG1 PARP1 3307/4885MTNR1A 4410/4885MTNR1B 3397/4885

“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.