SCHEMBL1769960

SCHEMBL1769960

O=C(CBr)C1(c2ccc(Cl)cc2)CCC1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.54
HSD11B1 P28845 8/20 0.54
ALDH1A1 P00352 3/20 0.47
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
FFAR2 O15552 3/20 0.44
GSK3B P49841 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HDAC1 Q13547 1/20 0.43
THRB P10828 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL1770012 0.97 HDAC4 (0.58) HDAC4HSD11B1ALDH1A1CHRM2CHRM1
SCHEMBL1769973 0.95 HDAC4 (0.57) HDAC4HSD11B1ALDH1A1CHRM2CHRM1
SCHEMBL1769917 0.93 HSD11B1 (0.51) HDAC4HSD11B1ALDH1A1GSK3BSMN1; SMN2
SCHEMBL1770373 0.84 HDAC4 (0.56) HDAC4HSD11B1ALDH1A1FFAR2SMN1; SMN2
SCHEMBL3443916 0.84 HDAC4 (0.56) HDAC4HSD11B1ALDH1A1FFAR2SMN1; SMN2
SCHEMBL8225678 0.83 HDAC4 (0.54) HDAC4HSD11B1ALDH1A1FFAR2SMN1; SMN2
SCHEMBL2550 0.83 HDAC4 (0.54) HDAC4HSD11B1ALDH1A1CHRM2CHRM1
SCHEMBL16507538 0.82 AKR1C1 (0.58) HDAC4HSD11B1ALDH1A1SMN1; SMN2LMNA
SCHEMBL9864404 0.82 HSD11B1 (0.50) HDAC4HSD11B1ALDH1A1CHRM2CHRM1
SCHEMBL7047849 0.82 SLC6A3 (0.47) CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110112151-A1 COMPOUND CAPABLE OF INHIBITING 11-BETA HYDROXYSTERIOD DEHYDROGENASE STERIX LIMITED (GB) 2011-05-12 US disclosed
EP-2257528-A2 1 IBETA-HYDROXYSTEROID DEHYDROGENASE INHIBITORS Sterix Limited (GB) 2010-12-08 EP 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-7816375-B2 Ligands for monoamine receptors and transporters, and methods of use thereof SEPRACOR INC. (US) 2010-10-19 US disclosed
US-20100093706-A1 MULTIMEDIATOR TRANSPORTER INHIBITORS FOR USE IN TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS PREXA PHARMACEUTICALS, INC. (US) 2010-04-15 US disclosed
US-20100093706-A1 MULTIMEDIATOR TRANSPORTER INHIBITORS FOR USE IN TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS PREXA PHARMACEUTICALS, INC. (US) 2010-04-15 US disclosed
US-20100093706-A1 MULTIMEDIATOR TRANSPORTER INHIBITORS FOR USE IN TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS PREXA PHARMACEUTICALS, INC. (US) 2010-04-15 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-20030050309-A1 Ligands for monoamine receptors and transporters, and methods of use thereof SEPRACOR INC. 2003-03-13 US disclosed
EP-0970090-B1 SUBSTITUTED 4-ARYLMETHYLENE-2-IMINO-2,3-DIHYDROTHIAZOLES AND DERIVATIVES AND THEIR PHARMACEUTICAL USE KNOLL GMBH (DE) 2002-06-05 EP disclosed
WO-2002022572-A2 LIGANDS FOR MONOAMINE RECEPTORS AND TRANSPORTERS, AND METHODS OF USE THEREOF (NEUROTRANSMISSION) SEPRACOR, INC. (US) 2002-03-21 WO disclosed
US-6187802-B1 3-(1-(3,4-DICHLOROPHENYL)CYCLOBUTYL)-5,6-DIHYDROIMIDAZO(2,1-B) THIAZOLE, FOR EXAMPLE; ADMINISTERING TO TREAT DEPRESSION, ANXIETY, PARKINSON'S DISEASE, OBESITY, COGNITIVE DISORDERS, SEIZURES, AND FOR NEUROPROTECTION AGAINST STROKE KNOLL AKTIENGESELLSCHAFT (DE) 2001-02-13 US disclosed
EP-0970090-A1 SUBSTITUTED 4-ARYLMETHYLENE-2-IMINO-2,3-DIHYDROTHIAZOLES AND DERIVATIVES AND THEIR PHARMACEUTICAL USE Knoll AG (DE) 2000-01-12 EP disclosed
WO-1998041528-A1 SUBSTITUTED 4-ARYLMETHYLENE-2-IMINO-2,3-DIHYDROTHIAZOLES AND DERIVATIVES AND THEIR PHARMACEUTICAL USE KNOLL AKTIENGESELLSCHAFT (DE) 1998-09-24 WO disclosed
US-5047432-A Antidepressants THE BOOTS COMPANY PLC (GB) 1991-09-10 US disclosed
US-4925879-A ANTIDEPRESSANTS BOOTS COMPANY, PLC (GB) 1990-05-15 US disclosed
EP-0191542-B1 ARYLCYCLOBUTYLALKYL AMINES AND THEIR USE AS ANTIDEPRESSIVE MEDICINES The Boots Company PLC (GB) 1988-06-08 EP disclosed
EP-0191542-A1 Arylcyclobutylalkyl amines and their use as antidepressive medicines The Boots Company PLC (GB) 1986-08-20 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-20030050309-A1 Ligands for monoamine receptors and transporters, and methods of use thereof SLC6A2, OPRL1, SLC18A2 HDAC4 4506/4885HSD11B1 721/4885ALDH1A1 873/4885
US-20100093706-A1 MULTIMEDIATOR TRANSPORTER INHIBITORS FOR USE IN TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS SLC6A4, SLC18A2, SLC6A2 HDAC4 1278/4885HSD11B1 1208/4885ALDH1A1 490/4885
US-20110112151-A1 COMPOUND CAPABLE OF INHIBITING 11-BETA HYDROXYSTERIOD DEHYDROGENASE HSD11B1, HSD11B2, HSD3B1 HDAC4 1338/4885HSD11B1 1/4885ALDH1A1 307/4885
US-20090258901-A1 LIGANDS FOR MONOAMINE RECEPTORS AND TRANSPORTERS, AND METHODS OF USE THEREOF SLC6A2, OPRL1, SLC18A2 HDAC4 4506/4885HSD11B1 721/4885ALDH1A1 873/4885

“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.