SCHEMBL2295530

SCHEMBL2295530

CN(C)CC(N)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.64
HRH1 P35367 3/20 0.64
TDP1 Q9NUW8 1/20 0.61
SLC6A2 P23975 3/20 0.50
SLC6A4 P31645 3/20 0.50
SLC6A3 Q01959 3/20 0.50
AOC3 Q16853 2/20 0.50
GBA1 P04062 2/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
KCNH2 Q12809 1/20 0.49
SCN4A P35499 1/20 0.45

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
SCHEMBL1206312 1.00 HTR2A (0.64) HTR2AHRH1TDP1SLC6A2SLC6A4
SCHEMBL1206311 1.00 HTR2A (0.64) HTR2AHRH1TDP1SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL20238142 0.98 TDP1 (0.65) HTR2AHRH1TDP1SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL20238217 0.98 TDP1 (0.65) HTR2AHRH1TDP1SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL28133965 0.98 TDP1 (0.65) HTR2AHRH1TDP1SLC6A2SLC6A4
SCHEMBL3174219 0.81 AOC3 (0.50) HTR2AHRH1TDP1AOC3GBA1
SCHEMBL3174209 0.81 AOC3 (0.50) HTR2AHRH1TDP1AOC3GBA1
SCHEMBL26921899 0.80 CHRNA7 (0.46) HTR2AHRH1TDP1SLC6A2SLC6A4
SCHEMBL4455539 0.78 SIGMAR1 (0.48) HTR2AHRH1TDP1SLC6A2SLC6A4
SCHEMBL4506098 0.78 HTR2A (0.67) HTR2AHRH1TDP1SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113234081-A Preparation method of pyrrolopyrazole derivative and DMDPEDA as urea 东南大学 2021-08-10 CN claimed
US-9896451-B2 Method for producing endo-9-azabicyclo[3.3.1]nonan-3-ol derivative NIPPON SODA CO., LTD. (JP) 2018-02-20 US claimed
US-20080039442-A1 Compounds With Kv4 Ion Channel Activity DEVGEN NV (BE) 2008-02-14 US claimed
EP-1838690-A2 COMPOUNDS WITH KV4 ION CHANNEL ACTIVITY Devgen N.V. (BE) 2007-10-03 EP claimed
WO-2006066879-A2 COMPOUNDS WITH KV4 ION CHANNEL ACTIVITY DEVGEN N.V. (BE) 2006-06-29 WO claimed
US-20250163065-A1 PYRROLOTRIAZINONE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, PREPARATION METHOD THEREFOR, AND USE THEREOF SHANGHAITECH UNIVERSITY (CN) 2025-05-22 US disclosed
WO-2023165263-A1 PYRROLOTRIAZINONE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, PREPARATION METHOD THEREFOR, AND USE THEREOF 上海科技大学 2023-09-07 WO disclosed
WO-2023165263-A1 PYRROLOTRIAZINONE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, PREPARATION METHOD THEREFOR, AND USE THEREOF 上海科技大学 2023-09-07 WO disclosed
CN-116693536-A Pyrrolotriazinone compound, pharmaceutical composition containing pyrrolotriazinone compound, preparation method and application of pyrrolotriazinone compound 上海科技大学 2023-09-05 CN disclosed
CN-110981707-B Method for synthesizing chiral citronellal by isomerism of nerol or geraniol 万华化学集团股份有限公司 2023-05-30 CN disclosed
EP-3640242-B1 ROCK-INHIBITING COMPOUND AND USES THEREOF HITGEN LTD (CN) 2023-04-19 EP disclosed
US-20230115176-A1 Complement Modulators and Related Methods RA PHARMACEUTICALS, INC. 2023-04-13 US disclosed
WO-2008036308-A2 AMINO-SUBSTITUTED HETEROCYCLES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2008-03-27 WO disclosed
US-20080039442-A1 Compounds With Kv4 Ion Channel Activity DEVGEN NV (BE) 2008-02-14 US disclosed
US-20070111995-A1 Pyrazolo [3,4-B] pyridine Compounds and Their Use as Phosphodiesterase Inhibitors GLAXO GROUP LIMITED (GB) 2007-05-17 US disclosed
US-20070072865-A1 Bicyclic piperazine compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-29 US disclosed
US-20070043133-A1 Polyurethane foams, processes for obtaining them and use of these foams RHODIA POLYAMIDE INTERMEDIATES (FR) 2007-02-22 US disclosed
CN-1849352-A Polyurethane foam, production methods thereof and use of same RHODIA POLYAMIDE INTERMEDIATES (FR) 2006-10-18 CN disclosed
EP-1661898-A1 BICYCLIC PIPERAZINE COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2006-05-31 EP disclosed
US-20050113580-A1 Amide compounds and methods of using the same SMITHKLINE BEECHAM CORP 2005-05-26 US 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-20230115176-A1 Complement Modulators and Related Methods C5, C9, C1QBP HTR2A 2975/4885HRH1 812/4885TDP1 2971/4885
US-20070111995-A1 Pyrazolo [3,4-B] pyridine Compounds and Their Use as Phosphodiesterase Inhibitors PDE4B, PDE3B, PDE4A HTR2A 2362/4885HRH1 673/4885TDP1 484/4885
US-20080039442-A1 Compounds With Kv4 Ion Channel Activity KCNA4, HCN4, KCNN4 HTR2A 2253/4885HRH1 1277/4885TDP1 3033/4885
US-20050113580-A1 Amide compounds and methods of using the same NR1H2, NR1H3, PPARA HTR2A 2333/4885HRH1 1063/4885TDP1 4665/4885
US-20250163065-A1 PYRROLOTRIAZINONE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, PREPARATION METHOD THEREFOR, AND USE THEREOF GPR139, GPR132, GPR142 HTR2A 890/4885HRH1 209/4885TDP1 3901/4885
US-20070072865-A1 Bicyclic piperazine compound and use thereof GPR3, FFAR3, LPAR3 HTR2A 685/4885HRH1 159/4885TDP1 4728/4885

“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.