SCHEMBL4029220

SCHEMBL4029220

C=CCC(C(=O)O)c1ccc(Cl)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 4/20 0.71
KMT2A Q03164 3/20 0.53
FFAR2 O15552 1/20 0.52
POLB P06746 2/20 0.50
CYP2C9 P11712 4/20 0.47
MEN1 O00255 2/20 0.46
CYP2D6 P10635 2/20 0.46
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GABBR2 O75899 3/20 0.41
GABBR1 Q9UBS5 3/20 0.41
LMNA P02545 2/20 0.41
CYP3A4 P08684 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
NFKB1 P19838 1/20 0.41
DRD3 P35462 1/20 0.41
BLM P54132 1/20 0.41
CYP1A2 P05177 1/20 0.41
THRB P10828 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL19803299 1.00 CYP2C19 (0.71) CYP2C19KMT2AFFAR2POLBCYP2C9
SCHEMBL21561158 1.00 CYP2C19 (0.71) CYP2C19KMT2AFFAR2POLBCYP2C9
SCHEMBL9577302 0.86 CYP2C19 (0.53) CYP2C19KMT2AFFAR2POLBCYP2C9
SCHEMBL13946462 0.86 FFAR2 (0.52) CYP2C19KMT2AFFAR2POLBCYP2C9
SCHEMBL19803300 0.84 FFAR2 (0.51) CYP2C19KMT2AFFAR2POLBCYP2C9
SCHEMBL11077670 0.84 CYP2C19 (0.73) CYP2C19KMT2AFFAR2POLBCYP2C9
SCHEMBL15546561 0.84 KMT2A (0.54) CYP2C19KMT2APOLBCYP2C9MEN1
SCHEMBL5879152 0.84 CYP2C19 (0.73) CYP2C19KMT2AFFAR2POLBL3MBTL1
SCHEMBL1458057 0.83 CYP2C19 (1.00) CYP2C19POLBCYP2D6L3MBTL1LMNA
SCHEMBL1458050 0.83 CYP2C19 (1.00) CYP2C19POLBCYP2D6L3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1497265-B1 COMPOUNDS HAVING AFFINITY AT 5HT2C RECEPTOR AND USE THEREOF IN THERAPY GLAXO GROUP LTD (GB) 2009-02-18 EP disclosed
EP-1497265-B1 COMPOUNDS HAVING AFFINITY AT 5HT2C RECEPTOR AND USE THEREOF IN THERAPY GLAXO GROUP LTD (GB) 2009-02-18 EP disclosed
US-20050203079-A1 Compounds having affinity at 5ht2C receptor and use thereof in therapy GLAXO GROUP LIMITED 2005-09-15 US disclosed
EP-1497265-A1 COMPOUNDS HAVING AFFINITY AT 5HT2C RECEPTOR AND USE THEREOF IN THERAPY GLAXO GROUP LIMITED (GB) 2005-01-19 EP disclosed
WO-2003089409-A1 COMPOUNDS HAVING AFFINITY AT 5HT2C RECEPTOR AND USE THEREOF IN THERAPY GLAXO GROUP LIMITED (GB) 2003-10-30 WO disclosed
EP-0037375-B1 INSECTICIDAL-VAPOURS EMITTING DEVICE Airwick AG (CH) 1984-05-23 EP disclosed
EP-0037375-A1 Insecticidal-vapours emitting device Airwick AG (CH) 1981-10-07 EP 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-20050203079-A1 Compounds having affinity at 5ht2C receptor and use thereof in therapy HTR7, HTR2C, HTR3C CYP2C19 245/4885KMT2A 2757/4885FFAR2 244/4885

“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.