SCHEMBL4228617

SCHEMBL4228617

COc1ccc(F)cc1OCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.66
FFAR4 Q5NUL3 1/20 0.66
HTR1A P08908 1/20 0.56
ADRA1D P25100 1/20 0.56
ADRA1A P35348 1/20 0.56
ADRA1B P35368 1/20 0.56
SMPD1 P17405 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
ABCB1 P08183 2/20 0.55
ABCG2 Q9UNQ0 1/20 0.55
KDM4E B2RXH2 3/20 0.54
LMNA P02545 3/20 0.54
HTT P42858 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
NPY1R P25929 1/20 0.54
NPY2R P49146 1/20 0.54
KMT2A Q03164 1/20 0.54
APP P05067 1/20 0.54

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
SCHEMBL30002764 1.00 FFAR1 (0.66) FFAR1FFAR4HTR1AADRA1DADRA1A
SCHEMBL21667956 0.93 FFAR1 (0.58) FFAR1FFAR4HTR1AADRA1DADRA1A
SCHEMBL23582260 0.85 HTR1A (0.59) FFAR1FFAR4HTR1AADRA1DADRA1A
SCHEMBL29914010 0.85 HTR1A (0.59) FFAR1FFAR4HTR1AADRA1DADRA1A
SCHEMBL791853 0.84 HTR1A (0.74) HTR1AADRA1DADRA1AADRA1BABCB1
SCHEMBL30416387 0.84 HTR1A (0.74) HTR1AADRA1DADRA1AADRA1BABCB1
SCHEMBL30712396 0.83 FFAR1 (0.48) FFAR1FFAR4HTR1AADRA1DADRA1A
Ammonia Solution, Strong SCHEMBL2063054 0.82 HTR1A (0.72) HTR1AADRA1DADRA1AADRA1BABCB1
SCHEMBL13791570 0.81 MAOB (0.62) HTR1AADRA1DADRA1AADRA1BSMPD1
SCHEMBL827943 0.81 SMPD1 (0.57) HTR1AADRA1DADRA1AADRA1BSMPD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115232144-B Nitrogen-containing condensed ring derivative, pharmaceutical composition, and preparation method and application thereof 长春金赛药业有限责任公司 2024-04-02 CN disclosed
CN-115232144-A Nitrogen-containing fused ring derivative, pharmaceutical composition, preparation method and application thereof 长春金赛药业有限责任公司 2022-10-25 CN disclosed
CN-102557971-B Substituted acids for the treatment of respiratory diseases ASTRAZENECA AB 2015-06-17 CN disclosed
CN-102557971-A Substituted acids for the treatment of respiratory diseases ASTRAZENECA AB 2012-07-11 CN disclosed
CN-101014564-B Substituted acids for the treatment of respiratory diseases ASTRAZENECA AB 2012-05-09 CN disclosed
US-20090233910-A1 Npy antagonists, preparation and uses CEREP (FR) 2009-09-17 US disclosed
WO-2008099020-A1 1,1-DIOXO-1-THIA-5,10-DIAZADIBENZOCYCLOHEPTENES USEFUL AS HEPATITIS C VIRUS INHIBITORS TIBOTEC PHARMACEUTICALS LTD. (IE) 2008-08-21 WO disclosed
WO-2008099020-A1 1,1-DIOXO-1-THIA-5,10-DIAZADIBENZOCYCLOHEPTENES USEFUL AS HEPATITIS C VIRUS INHIBITORS TIBOTEC PHARMACEUTICALS LTD. (IE) 2008-08-21 WO disclosed
EP-1879887-A2 NPY ANTAGONISTS, PREPARATION AND USE Cerep (FR) 2008-01-23 EP disclosed
CN-101014564-A Substituted acids for the treatment of respiratory diseases ASTRAZENECA AB (SE) 2007-08-08 CN disclosed
WO-2006108965-A2 NPY ANTAGONISTS, PREPARATION AND USE CEREP (FR) 2006-10-19 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 (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-20090233910-A1 Npy antagonists, preparation and uses NPY1R, NPY5R, NPY2R FFAR1 450/4885FFAR4 391/4885HTR1A 85/4885

“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.