SCHEMBL6780687

SCHEMBL6780687

O=C(O)C[C@@H](CCO)c1ccc(F)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.48
FNTB P49356 1/20 0.48
FFAR1 O14842 2/20 0.45
GABBR2 O75899 5/20 0.45
GABBR1 Q9UBS5 5/20 0.45
LMNA P02545 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP3A4 P08684 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
NFKB1 P19838 1/20 0.45
DRD3 P35462 1/20 0.45
BLM P54132 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
MEN1 O00255 1/20 0.45
THRB P10828 1/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 1/20 0.45
ITGB3 P05106 3/20 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
SCHEMBL660764 0.87 FNTA (0.54) FNTAFNTBFFAR1GABBR2GABBR1
Hydrochloric Acid SCHEMBL7334847 0.85 FNTA (0.52) FNTAFNTBFFAR1GABBR2GABBR1
SCHEMBL6782648 0.84 FNTA (0.47) FNTAFNTBFFAR1GABBR2GABBR1
SCHEMBL7566814 0.84 FFAR1 (0.48) FNTAFNTBFFAR1GABBR2GABBR1
SCHEMBL1923826 0.83 GABBR2 (0.63) FNTAFNTBGABBR2GABBR1LMNA
SCHEMBL28778319 0.82 GABBR2 (0.44) GABBR2GABBR1HDAC3HDAC4HDAC1
SCHEMBL28316668 0.81 FFAR1 (0.47) FNTAFNTBFFAR1GABBR2GABBR1
SCHEMBL5328056 0.81 SLC6A3 (0.40) FNTAFNTBGABBR2GABBR1HDAC3
SCHEMBL6579159 0.80 HTT (0.54) FNTAFNTBFFAR1LMNACYP2C9
SCHEMBL351502 0.80 GABBR2 (0.70) FNTAFNTBFFAR1GABBR2GABBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6833458-B2 Selective serotonin reuptake inhibitor; antidepressant, anti-Parkinson agent DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2004-12-21 US claimed
US-20020169323-A1 Practical syntheses of chiral trans-3, 4-disubstituted piperidines and the intermediates DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2002-11-14 US claimed
US-6833458-B2 Selective serotonin reuptake inhibitor; antidepressant, anti-Parkinson agent DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2004-12-21 US disclosed
US-20020169323-A1 Practical syntheses of chiral trans-3, 4-disubstituted piperidines and the intermediates DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2002-11-14 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 (1 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-20020169323-A1 Practical syntheses of chiral trans-3, 4-disubstituted piperidines and the intermediates HTR4, TPH2, HTR3A FNTA 3279/4885FNTB 2758/4885FFAR1 712/4885

“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.