SCHEMBL1040205

SCHEMBL1040205

O=C1c2ccccc2C(=O)N1CCCCN1CC=C(c2c[nH]c3ccc(F)cc23)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 14/20 1.00
HTR1A P08908 1/20 1.00
DRD4 P21917 1/20 1.00
HTR2A P28223 1/20 1.00
HTR2C P28335 1/20 1.00
SLC6A4 P31645 1/20 1.00
HTR7 P34969 1/20 1.00
DRD3 P35462 1/20 1.00
HTR2B P41595 1/20 1.00
HTR6 P50406 1/20 1.00

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
SCHEMBL793141 0.98 DRD2 (1.00) DRD2HTR1ADRD4HTR2AHTR2C
SCHEMBL7134140 0.94 DRD2 (0.98) DRD2HTR1ADRD4HTR2AHTR2C
SCHEMBL15064308 0.94 DRD2 (0.89) DRD2HTR1ADRD4HTR2AHTR2C
SCHEMBL15064479 0.89 DRD2 (0.98) DRD2HTR1ADRD4HTR2AHTR2C
SCHEMBL792611 0.86 DRD2 (0.94) DRD2HTR1ADRD4HTR2AHTR2C
SCHEMBL5392500 0.86 DRD2 (0.75) DRD2HTR1ADRD4HTR2AHTR2C
SCHEMBL5387582 0.85 DRD2 (0.75) DRD2HTR1ADRD4HTR2AHTR2C
SCHEMBL790948 0.84 DRD2 (0.72) DRD2HTR1ADRD4HTR2AHTR2C
SCHEMBL5389927 0.84 DRD2 (0.75) DRD2HTR1ADRD4HTR2AHTR2C
SCHEMBL791945 0.83 DRD2 (0.70) DRD2HTR1ADRD4HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9120767-B2 Arylosulfonamides for the treatment of CNS diseases ADAMED SP. Z.O.O. (PL) 2015-09-01 US disclosed
US-20140336200-A1 ARYLOSULFONAMIDES FOR THE TREATMENT OF CNS DISEASES ADAMED SP. Z O.O. (PL) 2014-11-13 US disclosed
US-8822517-B2 Arylosulfonamides for the treatment of CNS diseases ADAMED SP. Z O.O. (PL) 2014-09-02 US disclosed
US-20130172365-A1 ARYLOSULFONAMIDES FOR THE TREATMENT OF CNS DISEASES ADAMED SP. Z.O.O. (PL) 2013-07-04 US disclosed
EP-2044029-B1 TARTRATE SALT OF (7S)-7-[(5-FLUORO-2-METHYL-BENZYL)OXY]-2-[(2R)-2-METHYLPIPERAZIN-1-YL]-6,7-DIHYDRO-5H-CYCLOPENTA[B]PYRIDINE PFIZER PROD INC (US) 2011-01-26 EP disclosed
US-20100004259-A1 Tartrate Salt of (7S)-7-[(5-Fluoro-2-Methyl-Benzyl)oxy]-2-[(2R)-2-Methylpiperazin-1-YL]-6,7-Dihydro-5H-Cyclopenta[B]Pyridine PFIZER INC. 2010-01-07 US disclosed
US-7507732-B2 Cyclopentapyridine and tetrahydroquinoline derivatives PFIZER INC. (US) 2009-03-24 US disclosed
US-20080045512-A1 Benzoate salt of 4-(5-methyl-oxazolo[4,5-b]-pyridin-2-yl)-1,4-diazabicyclo[3.2.2]nonane PFIZER INC. 2008-02-21 US disclosed
US-20060247254-A1 Cyclopentapyridine and tetrahydroquinoline derivatives PFIZER. INC 2006-11-02 US disclosed
US-20060173179-A1 Azabenzoxazoles for the treatment of CNS disorders PFIZER INC 2006-08-03 US disclosed
US-20060166974-A1 Azabenzoxazoles for the treatment of CNS disorders PFIZER INC. 2006-07-27 US disclosed
US-20050215571-A1 Therapeutic combination for cognititon enhancement and psychotic disorders PFIZER INC. 2005-09-29 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 (8 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-20140336200-A1 ARYLOSULFONAMIDES FOR THE TREATMENT OF CNS DISEASES ARSA, PMP22, STS DRD2 3216/4885HTR1A 1354/4885DRD4 3761/4885
US-20050215571-A1 Therapeutic combination for cognititon enhancement and psychotic disorders CHRNA3, CHRNA7, CHRNA2 DRD2 45/4885HTR1A 91/4885DRD4 90/4885
US-20060166974-A1 Azabenzoxazoles for the treatment of CNS disorders CHRNA7, CHRNA5, CHRNA10 DRD2 798/4885HTR1A 131/4885DRD4 857/4885
US-20060247254-A1 Cyclopentapyridine and tetrahydroquinoline derivatives HTR2C, HTR2A, HTR5A DRD2 71/4885HTR1A 8/4885DRD4 216/4885
US-20060173179-A1 Azabenzoxazoles for the treatment of CNS disorders CHRNA7, CHRNA5, CHRNA10 DRD2 759/4885HTR1A 121/4885DRD4 795/4885
US-20130172365-A1 ARYLOSULFONAMIDES FOR THE TREATMENT OF CNS DISEASES ARSA, PMP22, STS DRD2 3216/4885HTR1A 1354/4885DRD4 3761/4885
US-20100004259-A1 Tartrate Salt of (7S)-7-[(5-Fluoro-2-Methyl-Benzyl)oxy]-2-[(2R)-2-Methylpiperazin-1-YL]-6,7-Dihydro-5H-Cyclopenta[B]Pyridine HTR2C, HTR5A, HTR7 DRD2 262/4885HTR1A 5/4885DRD4 400/4885
US-20080045512-A1 Benzoate salt of 4-(5-methyl-oxazolo[4,5-b]-pyridin-2-yl)-1,4-diazabicyclo[3.2.2]nonane GABRA5, SLC6A3, GABRA1 DRD2 546/4885HTR1A 594/4885DRD4 456/4885

“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.