SCHEMBL3445161

SCHEMBL3445161

O=C(N1CCC[C@H](COc2ccc(F)cc2)C1)C1(c2ccc(Cl)cc2)CCC1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 16/20 0.53
HCRTR1 O43613 1/20 0.47
HCRTR2 O43614 1/20 0.47
EP300 Q09472 1/20 0.46
CREBBP Q92793 1/20 0.46

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
SCHEMBL3443488 1.00 HSD11B1 (0.53) HSD11B1HCRTR1HCRTR2EP300CREBBP
SCHEMBL3443484 1.00 HSD11B1 (0.53) HSD11B1HCRTR1HCRTR2EP300CREBBP
SCHEMBL3453630 0.90 HSD11B1 (0.51) HSD11B1EP300CREBBP
SCHEMBL3447833 0.90 HSD11B1 (0.63) HSD11B1
SCHEMBL3447831 0.90 HSD11B1 (0.63) HSD11B1
SCHEMBL13106596 0.89 HSD11B1 (0.50) HSD11B1EP300CREBBP
SCHEMBL6273925 0.89 HSD11B1 (0.50) HSD11B1EP300CREBBP
SCHEMBL3444028 0.87 HSD11B1 (0.52) HSD11B1EP300CREBBP
SCHEMBL4509406 0.85 HSD11B1 (0.52) HSD11B1
SCHEMBL4505869 0.85 HSD11B1 (0.52) HSD11B1

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-7816375-B2 Ligands for monoamine receptors and transporters, and methods of use thereof SEPRACOR INC. (US) 2010-10-19 US disclosed
US-7816375-B2 Ligands for monoamine receptors and transporters, and methods of use thereof SEPRACOR INC. (US) 2010-10-19 US disclosed
US-7816375-B2 Ligands for monoamine receptors and transporters, and methods of use thereof SEPRACOR INC. (US) 2010-10-19 US disclosed
US-20090258901-A1 LIGANDS FOR MONOAMINE RECEPTORS AND TRANSPORTERS, AND METHODS OF USE THEREOF AQUILA BRIAN M 2009-10-15 US disclosed
US-20090258901-A1 LIGANDS FOR MONOAMINE RECEPTORS AND TRANSPORTERS, AND METHODS OF USE THEREOF AQUILA BRIAN M 2009-10-15 US disclosed
US-20090258901-A1 LIGANDS FOR MONOAMINE RECEPTORS AND TRANSPORTERS, AND METHODS OF USE THEREOF AQUILA BRIAN M 2009-10-15 US disclosed
US-7517892-B2 Ligands for monoamine receptors and transporters, and methods of use thereof SEPRACOR INC. (US) 2009-04-14 US disclosed
US-7517892-B2 Ligands for monoamine receptors and transporters, and methods of use thereof SEPRACOR INC. (US) 2009-04-14 US disclosed
US-7517892-B2 Ligands for monoamine receptors and transporters, and methods of use thereof SEPRACOR INC. (US) 2009-04-14 US disclosed
US-7294637-B2 Method of treating addiction or dependence using a ligand for a monamine receptor or transporter SEPRACOR, INC. (US) 2007-11-13 US disclosed
US-7294637-B2 Method of treating addiction or dependence using a ligand for a monamine receptor or transporter SEPRACOR, INC. (US) 2007-11-13 US disclosed
US-7294637-B2 Method of treating addiction or dependence using a ligand for a monamine receptor or transporter SEPRACOR, INC. (US) 2007-11-13 US disclosed
US-7132551-B2 Ligands for monoamine receptors and transporters, and methods of use thereof SEPRACOR INC. (US) 2006-11-07 US disclosed
WO-2005077463-A2 LIGAND FOR A MONOAMINE RECEPTOR OR TRANSPORTER FOR TREATING ADDICTION OR DEPENDENCE SEPRACOR INC. (US) 2005-08-25 WO disclosed
US-20050080078-A1 Method of treating addiction or dependence using a ligand for a monoamine receptor or transporter SEPRACOR, INC. (US) 2005-04-14 US disclosed
US-20040077706-A1 Ligands for monoamine receptors and transporters, and methods of use thereof AQUILA BRIAN M (US) 2004-04-22 US disclosed
EP-1318988-A2 LIGANDS FOR MONOAMINE RECEPTORS AND TRANSPORTERS, AND METHODS OF USE THEREOF (NEUROTRANSMISSION) Sepracor, Inc. (US) 2003-06-18 EP disclosed
US-20030050309-A1 Ligands for monoamine receptors and transporters, and methods of use thereof SEPRACOR INC. 2003-03-13 US disclosed
WO-2002022572-A2 LIGANDS FOR MONOAMINE RECEPTORS AND TRANSPORTERS, AND METHODS OF USE THEREOF (NEUROTRANSMISSION) SEPRACOR, INC. (US) 2002-03-21 WO 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-20050080078-A1 Method of treating addiction or dependence using a ligand for a monoamine receptor or transporter PNMT, TAAR1, OPRL1 HSD11B1 4177/4885HCRTR1 17/4885HCRTR2 24/4885
US-20030050309-A1 Ligands for monoamine receptors and transporters, and methods of use thereof SLC6A2, OPRL1, SLC18A2 HSD11B1 721/4885HCRTR1 53/4885HCRTR2 45/4885
US-20040077706-A1 Ligands for monoamine receptors and transporters, and methods of use thereof SLC6A2, OPRL1, SLC18A2 HSD11B1 721/4885HCRTR1 53/4885HCRTR2 45/4885
US-20090258901-A1 LIGANDS FOR MONOAMINE RECEPTORS AND TRANSPORTERS, AND METHODS OF USE THEREOF SLC6A2, OPRL1, SLC18A2 HSD11B1 721/4885HCRTR1 53/4885HCRTR2 45/4885

“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.