SCHEMBL4866792

SCHEMBL4866792

NCCCCc1ccc2ccccc2n1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.49
PDE10A Q9Y233 5/20 0.46
CYSLTR2 Q9NS75 1/20 0.46
CYSLTR1 Q9Y271 1/20 0.46
CXCR4 P61073 1/20 0.44
MAPT P10636 1/20 0.44
NCF1 P14598 1/20 0.44
NOS2 P35228 1/20 0.44
BACE1 P56817 1/20 0.44
MAOA P21397 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL17713565 0.98 HRH1 (0.51) HRH1PDE10ACYSLTR2CYSLTR1CXCR4
SCHEMBL19386131 0.94 PDE10A (0.47) HRH1PDE10ACYSLTR2CYSLTR1CXCR4
SCHEMBL2334595 0.88 CYSLTR2 (0.52) PDE10ACYSLTR2CYSLTR1NCF1NOS2
SCHEMBL30285321 0.86 PDE10A (0.50) HRH1PDE10ACYSLTR2CYSLTR1NCF1
SCHEMBL2305245 0.86 PDE10A (0.50) HRH1PDE10ACYSLTR2CYSLTR1NCF1
SCHEMBL6798820 0.86 CYSLTR2 (0.53) PDE10ACYSLTR2CYSLTR1NCF1NOS2
Iodide SCHEMBL28674252 0.85 PDE10A (0.49) HRH1PDE10ACYSLTR2CYSLTR1NCF1
Hydrochloric Acid SCHEMBL14352232 0.85 PDE10A (0.49) HRH1PDE10ACYSLTR2CYSLTR1MAPT
SCHEMBL2913941 0.82 PDE10A (0.61) PDE10ACYSLTR2CYSLTR1NCF1NOS2
SCHEMBL8503996 0.81 CYSLTR1 (0.50) PDE10ACYSLTR2CYSLTR1CYP1A2CYP3A4

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0680967-B1 Erythromycin derivatives, their process of preparation and their use as medicaments HOECHST MARION ROUSSEL INC (FR) 1998-10-14 EP claimed
CN-113121512-B Preparation method of quinazolinyl butene amide compound 江苏晶立信医药科技有限公司 2022-11-04 CN disclosed
CN-113121512-A Preparation method of quinazolinyl butene amide compound 江苏晶立信医药科技有限公司 2021-07-16 CN disclosed
US-7332476-B2 Pyridyl substituted ketolide antibiotics NOVARTIS AG (CH) 2008-02-19 US disclosed
US-20060148730-A1 Using macrolide and ketolide compound THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2006-07-06 US disclosed
EP-1618119-A2 PYRIDYL SUBSTITUTED KETOLIDE ANTIBIOTICS CHIRON CORPORATION (US) 2006-01-25 EP disclosed
WO-2005007143-A2 USE OF MAKROLIDES AND KETOLIDES FOR THE TREATMENT OF TUBERCULOSIS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2005-01-27 WO disclosed
US-20050014706-A1 Method of treating tuberculosis BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS, THE 2005-01-20 US disclosed
US-20050009764-A1 Pyridyl substituted ketolide antibiotics CHIRON CORPORATION (US) 2005-01-13 US disclosed
WO-2004096822-A2 PYRIDYL SUBSTITUTED KETOLIDE ANTIBIOTICS CHIRON CORPORATION (US) 2004-11-11 WO disclosed
US-6756359-B2 ADMINISTERING A 14 MEMBERED MACROLIDE AND KETOLIDE ANTIBIOTICS CONTAINING C12 MODIFICATIONS TO A PATIENT SUFFERING FROM BACTERIAL INFECTIONS CHIRON CORPORATION 2004-06-29 US disclosed
EP-1404693-A2 C12 MODIFIED ERYTHROMYCIN MACROLIDES AND KETOLIDES HAVING ANTIBACTERIAL ACTIVITY CHIRON CORPORATION (US) 2004-04-07 EP disclosed
US-20030125266-A1 C12 Modified erythromycin macrolides and ketolides having antibacterial activity CHU DANIEL (US) 2003-07-03 US disclosed
WO-2003004509-A2 C12 MODIFIED ERYTHROMYCIN MACROLIDES AND KETOLIDES HAVING ANTIBACTERIAL ACTIVITY CHIRON CORPORATION (US) 2003-01-16 WO disclosed
US-6100404-A Erythromycin compounds HOECHST MARION ROUSSEL (FR) 2000-08-08 US disclosed
EP-0680967-B1 Erythromycin derivatives, their process of preparation and their use as medicaments HOECHST MARION ROUSSEL INC (FR) 1998-10-14 EP disclosed
US-5635485-A Erythromycin compounds ROUSSEL UCLAF (FR) 1997-06-03 US disclosed
EP-0680967-A1 Erythromycin derivatives, their process of preparation and their use as medicaments ROUSSEL-UCLAF (FR) 1995-11-08 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 (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-20050009764-A1 Pyridyl substituted ketolide antibiotics PKLR, KHK, PGD HRH1 3517/4885PDE10A 1118/4885CYSLTR2 2900/4885
US-20030125266-A1 C12 Modified erythromycin macrolides and ketolides having antibacterial activity MRPL21, CYP51A1, CEL HRH1 2489/4885PDE10A 1947/4885CYSLTR2 1144/4885
US-20060148730-A1 Using macrolide and ketolide compound MLYCD, TREH, TKT HRH1 4030/4885PDE10A 2625/4885CYSLTR2 1617/4885
US-20050014706-A1 Method of treating tuberculosis TREH, TKT, DCXR HRH1 3801/4885PDE10A 1930/4885CYSLTR2 1154/4885

“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.