SCHEMBL2845037

SCHEMBL2845037

Cc1cc2[nH]cc(CCN)c2cc1C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 11/20 0.65
HTR1D P28221 7/20 0.65
HTR1A P08908 5/20 0.57
HTR1B P28222 4/20 0.57
HTR2C P28335 5/20 0.56
TRPM8 Q7Z2W7 4/20 0.56
CYP1A2 P05177 3/20 0.56
HTR7 P34969 3/20 0.56
HTR6 P50406 3/20 0.56
TSHR P16473 2/20 0.56
HTR4 Q13639 2/20 0.56
HTR2B P41595 2/20 0.56
MPO P05164 2/20 0.56
CYP3A4 P08684 2/20 0.56
CYP2D6 P10635 2/20 0.56
TAAR1 Q96RJ0 2/20 0.56
HTR3E A5X5Y0 1/20 0.56
HTR3B O95264 1/20 0.56
CYP2C9 P11712 1/20 0.56
DRD1 P21728 1/20 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
Hydrochloric Acid SCHEMBL7808114 0.98 HTR2A (0.63) HTR2AHTR1DHTR1AHTR1BHTR2C
Hydrochloric Acid SCHEMBL21546028 0.86 HTR1A (0.60) HTR2AHTR1DHTR1AHTR1BHTR2C
SCHEMBL893023 0.86 HTR2A (0.58) HTR2AHTR1DHTR1AHTR1BHTR2C
SCHEMBL28831089 0.84 HTR2A (0.58) HTR2AHTR1DHTR1AHTR1BHTR2C
SCHEMBL24460121 0.82 HTR2A (0.54) HTR2AHTR1DHTR1AHTR1BHTR2C
SCHEMBL24460316 0.81 HTR1D (0.53) HTR2AHTR1DHTR1AHTR1BHTR2C
SCHEMBL2539018 0.79 GPR84 (0.69) HTR2AHTR1DHTR1AHTR1BHTR2C
SCHEMBL26202540 0.79 HTR2A (0.50) HTR2AHTR1DHTR1AHTR1BHTR2C
SCHEMBL1971468 0.79 HTR2A (1.00) HTR2AHTR1DHTR1AHTR1BHTR2C
SCHEMBL15701965 0.79 HTR1D (0.63) HTR2AHTR1DHTR1AHTR1BHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022104475-A1 NITRILATED PSILOCYBIN DERIVATIVES AND METHODS OF USING MAGICMED INDUSTRIES INC. (CA) 2022-05-27 WO disclosed
EP-2444120-B1 Spirocyclic amiloride analogues as ENac blockers NOVARTIS AG (CH) 2017-09-27 EP disclosed
US-9643983-B2 Treating diseases mediated by blockade of the epithelial sodium channel with pyrazine-2-carboxamide derivatives NOVARTIS AG (CH) 2017-05-09 US disclosed
US-20160068546-A1 TREATING DISEASES MEDIATED BY BLOCKADE OF THE EPITHELIAL SODIUM CHANNEL WITH PYRAZINE-2-CARBOXAMIDE DERIVATIVES NOVARTIS AG (CH) 2016-03-10 US disclosed
US-9139586-B2 Treating diseases mediated by blockade of the epithelial sodium channel with pyrazine-2-carboxamide derivatives NOVARTIS AG (CH) 2015-09-22 US disclosed
US-20150231142-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases VERTEX PHARMA (US) 2015-08-20 US disclosed
US-20150150879-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases VERTEX PHARMACEUTICALS INCORPORATED 2015-06-04 US disclosed
EP-2813227-A1 Compositions for treatment of cystic fibrosis and other chronic diseases Vertex Pharmaceuticals Incorporated (US) 2014-12-17 EP disclosed
US-20140329814-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases VERTEX PHARMA (US) 2014-11-06 US disclosed
US-20140171421-A1 TREATING DISEASES MEDIATED BY BLOCKADE OF THE EPITHELIAL SODIUM CHANNEL WITH PYRAZINE-2-CARBOXAMIDE DERIVATIVES NOVARTIS AG (CH) 2014-06-19 US disclosed
CN-102665715-A Compositions for treatment of cystic fibrosis and other chronic diseases VERTEX PHARMA 2012-09-12 CN disclosed
EP-2490687-A1 COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES Vertex Pharmaceuticals Incorporated (US) 2012-08-29 EP disclosed
CN-101939054-A Organic compounds NOVARTIS AG 2011-01-05 CN disclosed
EP-2231280-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2010-09-29 EP disclosed
US-20100130506-A1 Organic Compounds NOVARTIS AG 2010-05-27 US disclosed
WO-2009074575-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-06-18 WO disclosed
EP-0749313-A4 METHOD FOR TREATING 5HT 2B RECEPTOR RELATED CONDITIONS LILLY CO ELI (US) 2001-10-24 EP disclosed
EP-0749313-A1 METHOD FOR TREATING 5HT 2B RECEPTOR RELATED CONDITIONS ELI LILLY AND COMPANY (US) 1996-12-27 EP disclosed
WO-1995024200-A1 METHOD FOR TREATING 5HT2B RECEPTOR RELATED CONDITIONS ELI LILLY AND COMPANY (US) 1995-09-14 WO disclosed
EP-0017727-A1 Polysubstituted diazatricyclic derivatives, processes for their preparation and pharmaceutical compositions containing them CIBA-GEIGY AG (CH) 1980-10-29 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 (6 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-20140329814-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 HTR2A 3255/4885HTR1D 2225/4885HTR1A 2815/4885
US-20160068546-A1 TREATING DISEASES MEDIATED BY BLOCKADE OF THE EPITHELIAL SODIUM CHANNEL WITH PYRAZINE-2-CARBOXAMIDE DERIVATIVES SCNN1B, SCNN1A, SCNN1G HTR2A 665/4885HTR1D 825/4885HTR1A 745/4885
US-20150231142-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 HTR2A 3255/4885HTR1D 2225/4885HTR1A 2815/4885
US-20100130506-A1 Organic Compounds OR10J3, REN, CACNA1E HTR2A 2915/4885HTR1D 692/4885HTR1A 1220/4885
US-20150150879-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 HTR2A 3255/4885HTR1D 2225/4885HTR1A 2815/4885
US-20140171421-A1 TREATING DISEASES MEDIATED BY BLOCKADE OF THE EPITHELIAL SODIUM CHANNEL WITH PYRAZINE-2-CARBOXAMIDE DERIVATIVES SCNN1B, SCNN1A, SCNN1G HTR2A 665/4885HTR1D 825/4885HTR1A 745/4885

“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.