SCHEMBL3272867

SCHEMBL3272867

CCc1cccc2c(C)ccnc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMD14 O00487 2/20 0.58
COPS5 Q92905 2/20 0.58
CCR1 P32246 3/20 0.55
CCR8 P51685 3/20 0.55
CCR5 P51681 2/20 0.55
L3MBTL1 Q9Y468 3/20 0.47
HTR1A P08908 2/20 0.45
ADRA1D P25100 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45
HTT P42858 2/20 0.44
SLC6A2 P23975 1/20 0.44
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL9828866 0.85 PSMD14 (0.58) PSMD14COPS5CCR1CCR8CCR5
SCHEMBL10157939 0.85 HTT (0.58) PSMD14COPS5CCR1CCR8CCR5
SCHEMBL19725754 0.85 KDM4E (0.50) PSMD14COPS5L3MBTL1HTR1AADRA1D
SCHEMBL16938252 0.84 PSMD14 (0.56) PSMD14COPS5CCR1CCR8CCR5
SCHEMBL474238 0.80 KDM4E (0.50) L3MBTL1HTTSLC6A2NPSR1KDM4E
SCHEMBL22492368 0.80 GABRA1 (0.45) PSMD14COPS5L3MBTL1HTR1AADRA1D
SCHEMBL28534276 0.80 PSMD14 (0.51) PSMD14COPS5CCR1CCR8CCR5
SCHEMBL2607397 0.78 PSMD14 (0.68) PSMD14COPS5CCR1CCR8CCR5
SCHEMBL12728621 0.78 HTR1A (0.57) PSMD14COPS5CCR1CCR8CCR5
SCHEMBL5542191 0.77 PSMD14 (0.61) PSMD14COPS5CCR1CCR8CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7692016-B2 Process for the synthesis of quinoline derivatives COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2010-04-06 US claimed
US-20070123708-A1 Process for the synthesis of quinoline derivatives COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2007-05-31 US claimed
WO-2007060685-A1 AN IMPROVED PROCESS FOR THE SYNTHESIS OF QUINOLINE DERIVATIVES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2007-05-31 WO claimed
CN-1602194-A Method for treating retroviral infections UNIROYAL CHEM CO INC (US) 2005-03-30 CN claimed
US-11773127-B2 Compounds and methods for treating bacterial infections WASHINGTON UNIVERSITY (US) 2023-10-03 US disclosed
US-20210171563-A1 COMPOUNDS AND METHODS FOR TREATING BACTERIAL INFECTIONS WASHINGTON UNIVERSITY (US) 2021-06-10 US disclosed
US-10113049-B2 Thermoplastic resin composition NIPPON NYUKAZAI CO., LTD. (JP) 2018-10-30 US disclosed
US-20150329698-A1 THERMOPLASTIC RESIN COMPOSITION NIPPON NYUKAZAI CO., LTD. (JP) 2015-11-19 US disclosed
CN-104159977-A Thermoplastic resin composition NIPPON NYUKAZAI CO LTD 2014-11-19 CN disclosed
EP-2220076-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INT (DE) 2012-01-18 EP disclosed
US-20110118249-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2011-05-19 US disclosed
US-7692016-B2 Process for the synthesis of quinoline derivatives COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2010-04-06 US disclosed
WO-2009062285-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-22 WO disclosed
WO-2009062289-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-22 WO disclosed
WO-2009062308-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-22 WO disclosed
WO-2009062288-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-22 WO disclosed
US-20070123708-A1 Process for the synthesis of quinoline derivatives COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2007-05-31 US disclosed
WO-2007060685-A1 AN IMPROVED PROCESS FOR THE SYNTHESIS OF QUINOLINE DERIVATIVES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2007-05-31 WO disclosed
CN-1602194-A Method for treating retroviral infections UNIROYAL CHEM CO INC (US) 2005-03-30 CN 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-20070123708-A1 Process for the synthesis of quinoline derivatives NDUFS4, NDUFS3, NDUFS5 PSMD14 2299/4885COPS5 642/4885CCR1 4735/4885
US-20210171563-A1 COMPOUNDS AND METHODS FOR TREATING BACTERIAL INFECTIONS MMP8, ELANE, MPO PSMD14 2801/4885COPS5 2026/4885CCR1 602/4885
US-20110118249-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION RTF2, CCNY, RTF1 PSMD14 1970/4885COPS5 1221/4885CCR1 181/4885
US-11773127-B2 Compounds and methods for treating bacterial infections MMP8, ELANE, MPO PSMD14 2801/4885COPS5 2026/4885CCR1 602/4885

“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.