SCHEMBL4023453

SCHEMBL4023453

C=CCC(C(=O)O)c1cccc(Cl)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.68
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
CPN1 P15169 2/20 0.45
CPB2 Q96IY4 2/20 0.45
ACP3 P15309 1/20 0.43
PTGFR P43088 3/20 0.40
GRIK1 P39086 1/20 0.40
GRIK2 Q13002 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
CCKAR P32238 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
RECQL P46063 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CACNA1G O43497 1/20 0.39
CACNA2D1 P54289 1/20 0.39
CACNA1B Q00975 1/20 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
SCHEMBL13945741 0.88 CYP2C19 (0.50) CYP2C19MEN1KMT2AACP3ALDH1A1
SCHEMBL9992613 0.82 MEN1 (0.47) CYP2C19MEN1KMT2AACP3
SCHEMBL9990935 0.82 MEN1 (0.47) CYP2C19MEN1KMT2AACP3
SCHEMBL9990938 0.82 MEN1 (0.47) CYP2C19MEN1KMT2AACP3
SCHEMBL13947123 0.82 CYP2C19 (0.45) CYP2C19MEN1KMT2AHPGD
SCHEMBL6366834 0.82 MEN1 (0.67) MEN1KMT2ACPN1CPB2ACP3
SCHEMBL6366829 0.82 MEN1 (0.67) MEN1KMT2ACPN1CPB2ACP3
SCHEMBL6366838 0.82 MEN1 (0.67) MEN1KMT2ACPN1CPB2ACP3
SCHEMBL10473835 0.81 CYP2C19 (0.44) CYP2C19MEN1KMT2AALDH1A1LMNA
SCHEMBL1458057 0.81 CYP2C19 (1.00) CYP2C19CPN1CPB2ALDH1A1LMNA

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 5 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

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 245/4885MEN1 1811/4885KMT2A 2757/4885

“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.