SCHEMBL5584591

SCHEMBL5584591

COc1ccc(C2CCNCC2)cc1C

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.55
TLR9 Q9NR96 1/20 0.54
TLR7 Q9NYK1 1/20 0.54
PDE4B Q07343 1/20 0.54
TGFBR1 P36897 1/20 0.49
ACVR1 Q04771 1/20 0.49
QDPR P09417 1/20 0.49
HTR2A P28223 2/20 0.46
HTR1A P08908 1/20 0.46
HTR1D P28221 1/20 0.46
HTR1B P28222 1/20 0.46
HTR1E P28566 1/20 0.46
HTR7 P34969 1/20 0.46
HTR2B P41595 1/20 0.46
HTR3A P46098 1/20 0.46
HTR5A P47898 1/20 0.46
HTR6 P50406 1/20 0.46
CHEK1 O14757 1/20 0.45
CARM1 Q86X55 1/20 0.44

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
SCHEMBL16553704 0.88 QDPR (0.46) TLR9TLR7PDE4BQDPR
SCHEMBL2473309 0.86 PDE4B (0.64) HTR2CTLR9TLR7PDE4BTGFBR1
Hydrochloric Acid SCHEMBL9772895 0.85 PDE4B (0.62) HTR2CTLR9TLR7PDE4BTGFBR1
Hydrochloric Acid SCHEMBL9014415 0.85 PDE4B (0.62) HTR2CTLR9TLR7PDE4BTGFBR1
SCHEMBL172801 0.84 PDE4B (0.50) PDE4BQDPRHTR2A
SCHEMBL7723660 0.83 PDE4B (0.49) PDE4BQDPRHTR2A
SCHEMBL10407587 0.82 QDPR (0.65) HTR2CTLR9TLR7PDE4BTGFBR1
SCHEMBL22279844 0.82 HTR2C (0.54) HTR2CTLR9TLR7PDE4BTGFBR1
SCHEMBL5584592 0.82 HTR2A (0.54) HTR2CTLR9TLR7PDE4BTGFBR1
SCHEMBL13362064 0.82 HTR2C (0.54) HTR2CTLR9TLR7PDE4BTGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10550102-B2 Indane and indoline derivatives and the use thereof as soluble guanylate cyclase activators NOVARTIS AG (CH) 2020-02-04 US disclosed
US-10550102-B2 Indane and indoline derivatives and the use thereof as soluble guanylate cyclase activators NOVARTIS AG (CH) 2020-02-04 US disclosed
US-20190119254-A1 INDANE AND INDOLINE DERIVATIVES AND THE USE THEREOF AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2019-04-25 US disclosed
US-20190119254-A1 INDANE AND INDOLINE DERIVATIVES AND THE USE THEREOF AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2019-04-25 US disclosed
EP-3164395-B1 INDANE AND INDOLINE DERIVATIVES AND THE USE THEREOF AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS NOVARTIS AG (CH) 2019-03-27 EP disclosed
US-10208018-B2 Indane and indoline derivatives and the use thereof as soluble guanylate cyclase activators NOVARTIS AG (CH) 2019-02-19 US disclosed
US-10208018-B2 Indane and indoline derivatives and the use thereof as soluble guanylate cyclase activators NOVARTIS AG (CH) 2019-02-19 US disclosed
US-9765067-B2 Thiophen-2-yl-pyridin-2-yl-1H-pyrazole-4-carboxylic acid derivatives and the use thereof as soluble guanylate cyclase activators NOVARTIS AG (CH) 2017-09-19 US disclosed
US-9765067-B2 Thiophen-2-yl-pyridin-2-yl-1H-pyrazole-4-carboxylic acid derivatives and the use thereof as soluble guanylate cyclase activators NOVARTIS AG (CH) 2017-09-19 US disclosed
US-9765067-B2 Thiophen-2-yl-pyridin-2-yl-1H-pyrazole-4-carboxylic acid derivatives and the use thereof as soluble guanylate cyclase activators NOVARTIS AG (CH) 2017-09-19 US disclosed
EP-3164399-A1 THIOPHEN-2-YL-PYRIDIN-2-YL-1H-PYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS Novartis AG (CH) 2017-05-10 EP disclosed
EP-3164395-A1 INDANE AND INDOLINE DERIVATIVES AND THE USE THEREOF AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS Novartis AG (CH) 2017-05-10 EP disclosed
WO-2016001876-A1 THIOPHEN-2-YL-PYRIDIN-2-YL-1H-PYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS NOVARTIS AG (CH) 2016-01-07 WO disclosed
WO-2016001875-A1 INDANE AND INDOLINE DERIVATIVES AND THE USE THEREOF AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS NOVARTIS AG (CH) 2016-01-07 WO disclosed
US-7196199-B2 Antiserotonine agents; antidepressants MITSUBISHI PHARMA CORPORATION (JP) 2007-03-27 US disclosed
EP-1188747-B1 PHENOXYPROPYLAMINE COMPOUNDS MITSUBISHI PHARMA CORP (JP) 2005-09-07 EP disclosed
US-20040138227-A1 Phenoxypropylamine compounds NISHIYAMA AKIRA 2004-07-15 US disclosed
US-6720320-B2 ANTISEROTONINE AGENTS MITSUBISHI PHARMA CORPORATION (JP) 2004-04-13 US disclosed
US-20020111358-A1 Phenoxypropylamine compounds MITSUBISHI PHARMA CORPORATION (JP) 2002-08-15 US disclosed
EP-1188747-A1 PHENOXYPROPYLAMINE COMPOUNDS Mitsubishi Pharma Corporation (JP) 2002-03-20 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 (5 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-20040138227-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A HTR2C 9/4885TLR9 3789/4885TLR7 1930/4885
US-10550102-B2 Indane and indoline derivatives and the use thereof as soluble guanylate cyclase activators GUCY1A2, GUCY1A1, PDE3A HTR2C 431/4885TLR9 1641/4885TLR7 1086/4885
US-10208018-B2 Indane and indoline derivatives and the use thereof as soluble guanylate cyclase activators GUCY1A2, GUCY1A1, PDE3A HTR2C 431/4885TLR9 1641/4885TLR7 1086/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A HTR2C 9/4885TLR9 3789/4885TLR7 1930/4885
US-20190119254-A1 INDANE AND INDOLINE DERIVATIVES AND THE USE THEREOF AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS GUCY1A2, GUCY1A1, PDE3A HTR2C 431/4885TLR9 1641/4885TLR7 1086/4885

“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.