SCHEMBL1421777

SCHEMBL1421777

N#Cc1cccc(-c2nc(-c3cccnc3)no2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 1.00
CHRNA5 P30532 4/20 1.00
CHRNA4 P43681 4/20 1.00
GRM5 P41594 1/20 0.63
RAB9A P51151 6/20 0.61
NPC1 O15118 5/20 0.61
CA9 Q16790 1/20 0.60
MAPT P10636 6/20 0.59
SMN1; SMN2 Q16637 5/20 0.59
TP53 P04637 4/20 0.59
ALDH1A1 P00352 4/20 0.59
KDM4E B2RXH2 2/20 0.59
HPGD P15428 2/20 0.59
HSD17B10 Q99714 1/20 0.59
S1PR1 P21453 2/20 0.57
NFKB1 P19838 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
PPARA Q07869 3/20 0.56

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
SCHEMBL30065433 1.00 CHRNB2 (1.00) CHRNB2CHRNA5CHRNA4GRM5RAB9A
SCHEMBL1422881 0.95 CHRNB2 (0.90) CHRNB2CHRNA5CHRNA4GRM5RAB9A
SCHEMBL1423089 0.88 CHRNB2 (0.78) CHRNB2CHRNA5CHRNA4GRM5RAB9A
SCHEMBL1422554 0.86 CHRNB2 (0.76) CHRNB2CHRNA5CHRNA4RAB9ANPC1
SCHEMBL1423608 0.85 CHRNB2 (0.74) CHRNB2CHRNA5CHRNA4GRM5RAB9A
SCHEMBL1423100 0.85 CHRNB2 (0.73) CHRNB2CHRNA5CHRNA4GRM5RAB9A
SCHEMBL1422802 0.83 CHRNB2 (0.71) CHRNB2CHRNA5CHRNA4GRM5SMN1; SMN2
SCHEMBL1422910 0.82 CHRNB2 (0.70) CHRNB2CHRNA5CHRNA4GRM5RAB9A
SCHEMBL1423419 0.82 CHRNB2 (0.69) CHRNB2CHRNA5CHRNA4GRM5RAB9A
SCHEMBL1422890 0.81 CHRNB2 (1.00) CHRNB2CHRNA5CHRNA4RAB9ANPC1

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 103 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023212244-A1 METHODS OF TREATING 5HT2A RECEPTOR-MEDIATED CONDITIONS TESSELLATE THERAPEUTICS, INC. (US) 2023-11-02 WO claimed
EP-3820443-A1 COMBINATIONS OF POSITIVE ALLOSTERIC MODULATORS AND NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS FOR TREATING OCULAR CONDITIONS Oyster Point Pharma, Inc. (US) 2021-05-19 EP claimed
CN-112638364-A Combination of positive allosteric modulators and nicotinic acetylcholine receptor agonists for the treatment of ocular disorders 奥伊斯特普安生物制药公司 2021-04-09 CN claimed
US-20210077478-A1 METHOD OF COUNTERING RESPIRATORY DEPRESSION VIA ACTIVATION OF NEURONAL HETEROMERIC NICOTINIC ACETYLCHOLINE RECEPTORS THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2021-03-18 US claimed
EP-3713574-A1 METHOD OF COUNTERING RESPIRATORY DEPRESSION VIA ACTIVATION OF NEURONAL HETEROMERIC NICOTINIC ACETYLCHOLINE RECEPTORS The Governors of the University of Alberta (CA) 2020-09-30 EP claimed
CN-111629726-A Method for combatting respiratory depression by activating neuronal heterotopic nicotinic acetylcholine receptors 阿尔伯塔大学理事会 2020-09-04 CN claimed
WO-2019100155-A1 METHOD OF COUNTERING RESPIRATORY DEPRESSION VIA ACTIVATION OF NEURONAL HETEROMERIC NICOTINIC ACETYLCHOLINE RECEPTORS THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2019-05-31 WO claimed
US-20190054067-A1 COMPOSITIONS AND METHODS FOR TREATING COMPULSIVE-LIKE BEHAVIOR IN A SUBJECT SAINT JOSEPH'S UNIVERSITY 2019-02-21 US claimed
EP-3429563-A1 COMPOSITIONS AND METHODS FOR TREATING COMPULSIVE-LIKE BEHAVIOR IN A SUBJECT University of the Sciences in Philadelphia (US) 2019-01-23 EP claimed
WO-2017160813-A1 COMPOSITIONS AND METHODS FOR TREATING COMPULSIVE-LIKE BEHAVIOR IN A SUBJECT UNIVERSITY OF THE SCIENCES (US) 2017-09-21 WO claimed
WO-2010138600-A2 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF PAIN ABBOTT LABORATORIES (US) 2010-12-02 WO claimed
EP-2255848-A2 Pharmaceutical combinations of a nicotine receptor modulator and a cognitive enhancer NeuroSearch AS (DK) 2010-12-01 EP claimed
US-20100234349-A1 PHARMACEUTICAL COMBINATIONS OF A NICOTINE RECEPTOR MODULATOR AND A COGNITIVE ENHANCER NEUROSEARCH A/S (DK) 2010-09-16 US claimed
EP-2226074-A2 Pharmaceutical compositions and their methods of use Abbott Laboratories (US) 2010-09-08 EP claimed
EP-1881979-B1 NOVEL OXADIAZOLE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH AS (DK) 2010-08-11 EP claimed
US-20090312347-A1 Novel oxadiazole derivatives and their medical use SANIONA A/S (DK) 2009-12-17 US claimed
CN-101605542-A Pharmaceutical compositions and methods of use thereof ABBOTT LAB (US) 2009-12-16 CN claimed
US-20080167286-A1 Pharmaceutical compositions and their methods of use ABBOTT LABORATORIES (US) 2008-07-10 US claimed
EP-1881979-A1 NOVEL OXADIAZOLE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2008-01-30 EP claimed
WO-2006114400-A1 NOVEL OXADIAZOLE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2006-11-02 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20090312347-A1 Novel oxadiazole derivatives and their medical use CHRNA3, CHRNA5, CHRNB3 CHRNB2 10/4885CHRNA5 2/4885CHRNA4 5/4885
US-20190054067-A1 COMPOSITIONS AND METHODS FOR TREATING COMPULSIVE-LIKE BEHAVIOR IN A SUBJECT CHRNA4, CHRNA5, CHRNE CHRNB2 9/4885CHRNA5 2/4885CHRNA4 1/4885
US-20100234349-A1 PHARMACEUTICAL COMBINATIONS OF A NICOTINE RECEPTOR MODULATOR AND A COGNITIVE ENHANCER CHRNA10, CHRNA4, CHRNA5 CHRNB2 12/4885CHRNA5 3/4885CHRNA4 2/4885
US-20080167286-A1 Pharmaceutical compositions and their methods of use CHRNA4, CHRNB4, CHRNA5 CHRNB2 5/4885CHRNA5 3/4885CHRNA4 1/4885

“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.