SCHEMBL4022599

SCHEMBL4022599

C=CCC(C)(C(=O)OC)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MCHR1 Q99705 1/20 0.38
POLB P06746 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
SSTR4 P31391 1/20 0.37
HPGD P15428 2/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CYP2C19 P33261 2/20 0.36
NPC1 O15118 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPK1 P28482 2/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL3638360 0.87 TSHR (0.40) TSHRMAPTSMN1; SMN2MCHR1POLB
SCHEMBL7553983 0.86 MAPT (0.42) TSHRMAPTSMN1; SMN2HPGDCYP2C19
SCHEMBL13946950 0.84 TSHR (0.38) TSHRPOLBSSTR4HPGDHDAC3
SCHEMBL4026261 0.84 TSHR (0.41) TSHRPOLBSSTR4HDAC3HDAC1
SCHEMBL9045378 0.83 HTT (0.42) TSHRMAPTSMN1; SMN2POLBSSTR4
SCHEMBL8801308 0.83 HTT (0.42) TSHRMAPTSMN1; SMN2POLBSSTR4
SCHEMBL296610 0.79 SSTR4 (0.40) TSHRMAPTSMN1; SMN2MCHR1POLB
SCHEMBL3640874 0.78 TSHR (0.39) TSHRMAPTSMN1; SMN2MCHR1POLB
SCHEMBL31626027 0.77 MAPT (0.40) TSHRMAPTSMN1; SMN2POLBTDP1
SCHEMBL27267207 0.77 MAPT (0.40) TSHRMAPTSMN1; SMN2POLBTDP1

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 TSHR 88/4885MAPT 4698/4885SMN1; SMN2 3695/4885

“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.