SCHEMBL3552712

SCHEMBL3552712

COc1ccc(C2CCNC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 2/20 0.59
MAOA P21397 2/20 0.54
PDE4B Q07343 1/20 0.54
HTR2C P28335 2/20 0.51
HTR1A P08908 1/20 0.49
HTR1D P28221 1/20 0.49
HTR1B P28222 1/20 0.49
HTR2A P28223 1/20 0.49
HTR1E P28566 1/20 0.49
HTR7 P34969 1/20 0.49
HTR2B P41595 1/20 0.49
HTR5A P47898 1/20 0.49
HTR6 P50406 1/20 0.49
KDM1A O60341 1/20 0.49
MAOB P27338 1/20 0.49
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL28488068 1.00 HTR3A (0.59) HTR3AMAOAPDE4BHTR2CHTR1A
Hydrochloric Acid SCHEMBL2268492 0.98 HTR3A (0.58) HTR3AMAOAPDE4BHTR2CHTR1A
SCHEMBL2145393 0.91 HTR2A (0.55) HTR3AMAOAHTR2CHTR2AHTR6
SCHEMBL28301764 0.91 HTR2A (0.55) HTR3AMAOAHTR2CHTR2AHTR6
SCHEMBL1015494 0.91 HTR3A (0.50) HTR3AMAOAPDE4BHTR2CHTR1A
SCHEMBL16874793 0.89 CYP2D6 (0.53) HTR3AMAOAPDE4BHTR2AHTR6
Hydrochloric Acid SCHEMBL568418 0.89 HTR2A (0.54) HTR3AMAOAHTR2CHTR2AHTR6
SCHEMBL239790 0.89 HTR2C (0.64) HTR3AMAOAHTR2CHTR6KDM1A
Hydrochloric Acid SCHEMBL16446233 0.88 CYP2D6 (0.51) HTR3AMAOAPDE4BHTR2AHTR6
SCHEMBL1015482 0.88 PKM (0.54) HTR3AMAOAPDE4BHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115942934-A Preventive or therapeutic agent for porphyria 田边三菱制药株式会社 2023-04-07 CN disclosed
CN-115427394-A Heterocyclic compounds for modulating NR2F6 TES制药有限责任公司 2022-12-02 CN disclosed
EP-2182950-B1 USE OF 4-(PYRROLIDIN-1-YL)QUINOLINE COMPOUNDS TO KILL CLINICALLY LATENT MICROORGANISMS HELPERBY THERAPEUTICS LTD (GB) 2017-07-19 EP disclosed
EP-2661428-B1 QUINOXALINES AND AZA-QUINOXALINES AS CRTH2 RECEPTOR MODULATORS MERCK SHARP & DOHME (US) 2017-06-07 EP disclosed
CN-101795688-B Application of 4- (pyrrolidine-1-yl) quinoline compound in preparation of medicine for killing clinically latent microorganisms HELPERBY THERAPEUTICS LTD 2015-05-20 CN disclosed
US-8759348-B2 Use of 4-(pyrrolidin-1-yl)quinoline compounds to kill clinically latent microorganisms HELPERBY THERAPEUTICS LIMITED (GB) 2014-06-24 US disclosed
US-8754107-B2 Aminopyrrolidines as chemokine receptor antagonists ABBVIE INC. (US) 2014-06-17 US disclosed
US-20130303517-A1 QUINOXALINES AND AZA-QUINOXALINES AS CRTH2 RECEPTOR MODULATORS MERCK SHARP & DOHME LLC 2013-11-14 US disclosed
WO-2012087861-A1 QUINOXALINES AND AZA-QUINOXALINES AS CRTH2 RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. (US) 2012-06-28 WO disclosed
US-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections GLAXOSMITHKLINE LLC 2012-05-17 US disclosed
WO-2008011453-A2 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF LLβ-HSD-1 AMGEN INC. (US) 2008-01-24 WO disclosed
US-7084154-B2 2-(aminomethyl) arylamide analgesics PHARMACOPEIA DRUG DISCLOVERY, INC. (US) 2006-08-01 US disclosed
US-20050176727-A1 Oximes and hydrazones that are useful in treating sexual dysfunction ABBOTT LABORATORIES 2005-08-11 US disclosed
US-20040167119-A1 2-(aminomethyl) arylamide analgesics PHARMACOPEIA, INC (US) 2004-08-26 US disclosed
WO-2004071445-A2 2-(AMINOMETHYL)ARYLAMIDE ANALGESICS PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2004-08-26 WO disclosed
EP-0736526-B1 Pyrazolidine derivative, radical scavenger, brain-infarction depressant, and brain-edema depressant SHISEIDO CO LTD (JP) 2003-02-12 EP disclosed
US-5824690-A TREATING ASTHMA, COUGH HOECHST MARION ROUSSEL INC. (US) 1998-10-20 US disclosed
US-5140040-A Alpha-2-adrenergic receptor antagonist; glaucoma; congestive heart failure; hypotensive agents; headaches; metabolic disorders (diabetes, obesity) ABBOTT LABORATORIES (US) 1992-08-18 US disclosed
US-5128362-A Antidepressant, antiglaucoma ABBOTT LABORATORIES (US) 1992-07-07 US disclosed
US-5086074-A Selective adrenergic receptor antagonists ABBOTT LABORATORIES (US) 1992-02-04 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 (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-20130303517-A1 QUINOXALINES AND AZA-QUINOXALINES AS CRTH2 RECEPTOR MODULATORS HRH2, NPY2R, CNKSR1 HTR3A 2314/4885MAOA 2161/4885PDE4B 930/4885
US-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections OAT, HAVCR2, CPS1 HTR3A 3108/4885MAOA 797/4885PDE4B 2598/4885
US-20050176727-A1 Oximes and hydrazones that are useful in treating sexual dysfunction CYP19A1, SHBG, CYP17A1 HTR3A 892/4885MAOA 70/4885PDE4B 566/4885
US-20040167119-A1 2-(aminomethyl) arylamide analgesics OPRL1, OPRM1, OPRK1 HTR3A 136/4885MAOA 115/4885PDE4B 2697/4885

“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.