SCHEMBL6408467

SCHEMBL6408467

Clc1ccc(NCCNc2ccc(OCCN3CCCCC3)nc2)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.58
HTR2C P28335 1/20 0.58
HTR2B P41595 1/20 0.58
SIGMAR1 Q99720 9/20 0.52
EPHA2 P29317 2/20 0.48
KDR P35968 2/20 0.48
EPHB4 P54760 2/20 0.48
TSHR P16473 1/20 0.48
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
KCNH2 Q12809 1/20 0.46
SRC P12931 1/20 0.46
LTA4H P09960 1/20 0.46
HRH3 Q9Y5N1 1/20 0.44

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
SCHEMBL6410846 0.82 EPHA2 (0.48) HTR2AHTR2CHTR2BSIGMAR1EPHA2
SCHEMBL6408957 0.81 HTR2C (0.61) HTR2AHTR2CHTR2BEPHA2KDR
SCHEMBL3783137 0.73 HTR2C (1.00) HTR2AHTR2CHTR2BSIGMAR1KCNH2
SCHEMBL6415399 0.70 HTR2C (0.63) HTR2AHTR2CHTR2BEPHA2KDR
SCHEMBL17442409 0.69 LTA4H (0.58) HTR2AHTR2CHTR2BKDRTSHR
SCHEMBL228313 0.69 LTA4H (0.58) HTR2AHTR2CHTR2BKDRTSHR
SCHEMBL6413519 0.69 LTA4H (0.58) HTR2AHTR2CHTR2BKDRTSHR
SCHEMBL467105 0.68 SIGMAR1 (1.00) SIGMAR1KCNH2
SCHEMBL26469262 0.68 HTR2A (0.50) HTR2AHTR2CHTR2BSIGMAR1KDR
SCHEMBL14426347 0.68 LTA4H (0.59) HTR2AHTR2CHTR2BKDM4ELTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050154028-A1 Cyclic urea derivatives with 5-ht2c receptor activity GLAXO GROUP LIMITED (GB) 2005-07-14 US disclosed
EP-1465630-A1 CYCLIC UREA DERIVATIVES WITH 5-HT2C RECEPTOR ACTIVITY GLAXO GROUP LIMITED (GB) 2004-10-13 EP disclosed
WO-2003057220-A1 CYCLIC UREA DERIVATIVES WITH 5-HT2C RECEPTOR ACTIVITY GLAXO GROUP LIMITED (GB) 2003-07-17 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-20050154028-A1 Cyclic urea derivatives with 5-ht2c receptor activity HTR2C, HTR3C, HTR5A HTR2A 30/4885HTR2C 1/4885HTR2B 28/4885

“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.