SCHEMBL2689802

SCHEMBL2689802

COc1ccc(F)cc1CCCCC=O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 13/20 0.50
SLC6A4 P31645 13/20 0.50
SLC6A3 Q01959 13/20 0.50
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 1/20 0.47
FDFT1 P37268 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 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
SCHEMBL2689430 0.95 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3ALDH1A1MEN1
SCHEMBL2689433 0.89 ALDH1A1 (0.50) SLC6A2SLC6A4SLC6A3ALDH1A1MEN1
SCHEMBL15757833 0.84 ADRA1A (0.57) MTNR1AMTNR1B
SCHEMBL26052291 0.80 ALOX5 (0.44)
SCHEMBL2689127 0.78 ALDH1A1 (0.52) SLC6A2SLC6A4SLC6A3ALDH1A1MEN1
SCHEMBL30536248 0.78 ALDH1A1 (0.52) SLC6A2SLC6A4SLC6A3ALDH1A1MEN1
SCHEMBL19304392 0.78 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3
SCHEMBL2691395 0.77 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3ALDH1A1MEN1
SCHEMBL9694624 0.77 CHRM2 (0.55) MTNR1AMTNR1B
SCHEMBL30669668 0.77 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3FDFT1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130123253-A1 MODULATORS OF CENTRAL NERVOUS SYSTEM NEUROTRANSMITTERS HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2013-05-16 US disclosed
US-8168635-B2 2-(aminomethyl)-5-phenyltetrahydrofuran; 4-(3,4-Dimethoxyphenyl)-2-[5-(2-{5-[2-(5-fluoro-2-methoxyphenyl)-ethyl]-tetrahydrofuran-2-yl}-ethylamino)-pentyl]-4a,5,8,8a-tetrahydro-2H-phthalazin-1-one; dual inhibitor of serotonin reuptake and phosphodiesterase 4 (PDE4) enzyme activity HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2012-05-01 US disclosed
US-20080261967-A1 Modulators of Central Nervous System Neurotransmitters HUMAN BIOMOLECULAR RESEARCH INSTITUTE 2008-10-23 US disclosed
EP-1771435-A4 MODULATORS OF CENTRAL NERVOUS SYSTEM NEUROTRANSMITTERS HUMAN BIOMOLECULAR RES INST (US) 2008-02-13 EP disclosed
EP-1771435-A2 MODULATORS OF CENTRAL NERVOUS SYSTEM NEUROTRANSMITTERS Human Biomolecular Research Institute (US) 2007-04-11 EP disclosed
WO-2006025920-A2 MODULATORS OF CENTRAL NERVOUS SYSTEM NEUROTRANSMITTERS HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2006-03-09 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 (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-20080261967-A1 Modulators of Central Nervous System Neurotransmitters GAP43, SLC18A2, CHRNA6 SLC6A2 47/4885SLC6A4 104/4885SLC6A3 54/4885
US-20130123253-A1 MODULATORS OF CENTRAL NERVOUS SYSTEM NEUROTRANSMITTERS GAP43, SLC18A2, CHRNA6 SLC6A2 47/4885SLC6A4 104/4885SLC6A3 54/4885

“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.