SCHEMBL3822693

SCHEMBL3822693

NN1CCC(Cc2ccccc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 3/20 0.65
CARM1 Q86X55 2/20 0.64
PRMT6 Q96LA8 2/20 0.64
PRMT3 O60678 1/20 0.64
PRMT1 Q99873 1/20 0.64
PRMT8 Q9NR22 1/20 0.64
GRIN2B Q13224 2/20 0.57
MGLL Q99685 1/20 0.57
SIGMAR1 Q99720 2/20 0.56
ALDH1A1 P00352 1/20 0.56
GBA1 P04062 1/20 0.55

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
SCHEMBL21078023 0.93 CCR3 (0.57) CCR3CARM1PRMT6PRMT3PRMT1
SCHEMBL6102617 0.89 CCR3 (0.56) CCR3CARM1PRMT6PRMT3PRMT1
SCHEMBL15247841 0.81 CYP19A1 (0.49) CCR3CARM1PRMT6PRMT3PRMT1
SCHEMBL7247560 0.81 ALDH1A1 (0.61) CCR3CARM1PRMT6PRMT3PRMT1
SCHEMBL31549530 0.81 CARM1 (0.75) CCR3CARM1PRMT6PRMT3PRMT1
SCHEMBL11209800 0.81 MAOA (0.59) CCR3CARM1PRMT6
SCHEMBL674276 0.80 GBA1 (0.71) CCR3CARM1PRMT6PRMT3PRMT1
SCHEMBL2027845 0.80 GBA1 (0.71) CCR3CARM1PRMT6PRMT3PRMT1
SCHEMBL19101456 0.80 CCR3 (0.65) CCR3CARM1PRMT6PRMT3PRMT1
SCHEMBL13884225 0.80 CCR3 (0.65) CCR3CARM1PRMT6PRMT3PRMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1348706-B1 SUBSTITUTED THIAZOLE DERIVATIVES BEARING 3-PYRIDYL GROUPS, PROCESS FOR PREPARING THE SAME AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2009-08-19 EP disclosed
EP-1539724-B1 AMINO BENZOTHIAZOLE COMPOUNDS WITH NOS INHIBITORY ACTIVITY NEURAXON INC (CA) 2007-10-10 EP disclosed
EP-1268478-B1 PHENYL-SUBSTITUTED IMIDAZOPYRIDINES ORTHO MCNEIL PHARM INC (US) 2007-05-02 EP disclosed
US-7199117-B2 Phenyl-substituted imidazopyridines ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2007-04-03 US disclosed
US-7141595-B2 Amino benzothiazole compounds with NOS inhibitory activity NEURAXON INC. (CA) 2006-11-28 US disclosed
US-7087757-B2 Phenyl-substituted imidazopyridines ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2006-08-08 US disclosed
US-7067537-B2 Substituted thiazole derivatives bearing 3-pyridyl groups, process for preparing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-06-27 US disclosed
US-7041827-B2 Phenyl-substituted imidazopyridines BREITENBUCHER J GUY 2006-05-09 US disclosed
US-7041828-B2 Phenyl-substituted imidazopyridines BREITENBUCHER J GUY 2006-05-09 US disclosed
US-20050209291-A1 N-(2-Amino-benzothiazol-6-yl)-ethylthiocarboximidamide or other amino benzothiazole derivatives as neuroprotectants and for the treatment of neuropathic pain NEURAXON INC. (CA) 2005-09-22 US disclosed
US-20010051632-A1 Phenyl-substituted indolizines and tetrahydroindolizines ORTHO MCNEIL PHARMACEUTICAL, INC. 2001-12-13 US disclosed
WO-2001074814-A1 PHENYL-SUBSTITUTED INDOLIZINE DERIVATIVES AND THEIR USE AS HISTAMINE H3 LIGANDS ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2001-10-11 WO disclosed
WO-2001074773-A2 PHENYL-SUBSTITUTED INDOLES AS HISTAMINE H3-RECEPTOR ANTAGONISTS ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2001-10-11 WO disclosed
US-5981520-A USEFUL FOR TREATING ASTHMA, BRONCHOSPASM, ALLERGIES, ANXIETY, COUGHING OR PAIN SCHERING CORPORATION (US) 1999-11-09 US disclosed
US-5795894-A TREATMENT OF ASTHMA AND BRONCHOSPASM SCHERING CORPORATION (US) 1998-08-18 US disclosed
EP-0823906-A1 PIPERAZINO DERIVATIVES AS NEUROKININ ANTAGONISTS SCHERING CORPORATION (US) 1998-02-18 EP disclosed
WO-1996034864-A1 PIPERAZINO DERIVATIVES AS NEUROKININ ANTAGONISTS SCHERING CORPORATION (US) 1996-11-07 WO disclosed
EP-0042570-B1 20-DEOXYROSARAMICIN DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SCHERING CORPORATION (US) 1983-10-19 EP disclosed
EP-0042570-A1 20-Deoxyrosaramicin derivatives, process for their preparation and pharmaceutical compositions containing them SCHERING CORPORATION (US) 1981-12-30 EP disclosed
US-4279896-A Novel 20-imino macrolide antibacterial agents SCHERING CORPORATION (US) 1981-07-21 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 (2 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-20050209291-A1 N-(2-Amino-benzothiazol-6-yl)-ethylthiocarboximidamide or other amino benzothiazole derivatives as neuroprotectants and for the treatment of neuropathic pain GAP43, NLN, TRPV1 CCR3 2573/4885CARM1 4768/4885PRMT6 3812/4885
US-20010051632-A1 Phenyl-substituted indolizines and tetrahydroindolizines TPH2, TPH1, IDO2 CCR3 2595/4885CARM1 1411/4885PRMT6 2465/4885

“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.