SCHEMBL4032377

SCHEMBL4032377

C=CCC(C(=O)Nc1ccc(OC)c(OCCN2CCCC2)c1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 9/20 0.49
HTR2C P28335 9/20 0.49
HTR2B P41595 7/20 0.49
MCHR1 Q99705 6/20 0.48
KDR P35968 5/20 0.47
EPHA2 P29317 2/20 0.47
EPHB4 P54760 2/20 0.47
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
DRD3 P35462 1/20 0.46
EGFR P00533 1/20 0.43

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
SCHEMBL13946677 0.92 HTR2C (0.49) HTR2AHTR2CHTR2B
SCHEMBL4026931 0.91 KDM4E (0.45) HTR2AHTR2CMCHR1KDREPHA2
SCHEMBL13946856 0.91 HTR2C (0.49) HTR2AHTR2CHTR2BMCHR1KDR
SCHEMBL6220699 0.88 HTR2C (0.53) HTR2AHTR2CMCHR1KDREPHA2
SCHEMBL13946461 0.86 HTR2A (0.50) HTR2AHTR2CHTR2BMCHR1KDR
SCHEMBL13946676 0.86 HTR2A (0.50) HTR2AHTR2CHTR2BMCHR1KDR
SCHEMBL13946457 0.86 KDR (0.44) HTR2AHTR2CMCHR1KDREPHA2
SCHEMBL6182880 0.83 HSP90AA1 (0.40) KDREPHA2EPHB4
SCHEMBL13945743 0.82 HTR2C (0.48) HTR2AHTR2CHTR2BMCHR1ADRA1A
SCHEMBL13946678 0.81 HTR2C (0.46) HTR2AHTR2CMCHR1KDREGFR

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 2 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
US-20050203079-A1 Compounds having affinity at 5ht2C receptor and use thereof in therapy GLAXO GROUP LIMITED 2005-09-15 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-20050203079-A1 Compounds having affinity at 5ht2C receptor and use thereof in therapy HTR7, HTR2C, HTR3C HTR2A 17/4885HTR2C 2/4885HTR2B 25/4885

“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.