SCHEMBL2689604

SCHEMBL2689604

CCC(CCC(=O)O)c1cc(F)ccc1OC

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47
CTSA P10619 9/20 0.42
MMEL1 Q495T6 1/20 0.41
MMP2 P08253 1/20 0.41
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.39
PTGFR P43088 2/20 0.39

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
SCHEMBL2691040 0.86 CTSA (0.48) CTSAPOLBHTTNPSR1L3MBTL1
SCHEMBL10835932 0.84 GAA (0.41) FFAR1FFAR4POLBHTTNPSR1
SCHEMBL20032417 0.82 KDM4E (0.44) CTSA
SCHEMBL19933695 0.82 PTGFR (0.36) FFAR1FFAR4PTGFR
SCHEMBL6927131 0.76 POLB (0.59) FFAR1MMP2POLBHTTNPSR1
Hydrochloric Acid SCHEMBL21632047 0.76 GAA (0.55) CTSAPOLBHTTNPSR1L3MBTL1
SCHEMBL20535149 0.74 CTSA (0.50) FFAR1FFAR4CTSAMMEL1
Butyric Acid SCHEMBL10752504 0.74 FFAR4 (0.60) FFAR1FFAR4POLBLMNA
SCHEMBL20855727 0.73 CTSA (0.49) CTSA
SCHEMBL23322870 0.73 ADRA1A (0.50) LMNA

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 FFAR1 500/4885FFAR4 782/4885CTSA 684/4885
US-20130123253-A1 MODULATORS OF CENTRAL NERVOUS SYSTEM NEUROTRANSMITTERS GAP43, SLC18A2, CHRNA6 FFAR1 500/4885FFAR4 782/4885CTSA 684/4885

“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.