SCHEMBL6412979

SCHEMBL6412979

COc1ccc(NCCNc2ccccc2Cl)cc1OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 3/20 0.51
CTSL P07711 3/20 0.51
LMNA P02545 3/20 0.50
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
KDM4E B2RXH2 2/20 0.50
HTT P42858 2/20 0.50
BCHE P06276 2/20 0.48
HTR1A P08908 2/20 0.46
ADRA1D P25100 2/20 0.46
ADRA1A P35348 2/20 0.46
ADRA1B P35368 2/20 0.46
MAPT P10636 1/20 0.46
ALOX12 P18054 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
C5AR1 P21730 1/20 0.46
SMPD1 P17405 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46

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
SCHEMBL6413554 0.81 LMNA (0.51) CTSVCTSLLMNAALDH1A1SMN1; SMN2
SCHEMBL6376682 0.79 C5AR1 (0.54) CTSVCTSLLMNAALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL28464909 0.78 C5AR1 (0.53) CTSVCTSLLMNAALDH1A1SMN1; SMN2
SCHEMBL28058342 0.78 ALDH1A1 (0.49) CTSVCTSLLMNAALDH1A1SMN1; SMN2
SCHEMBL6408139 0.77 LMNA (0.45) CTSVCTSLLMNAALDH1A1SMN1; SMN2
SCHEMBL6375544 0.74 CTSV (0.60) CTSVCTSLLMNAALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL8747237 0.73 CTSV (0.58) CTSVCTSLLMNAALDH1A1SMN1; SMN2
SCHEMBL10699552 0.72 C5AR1 (0.56) CTSVCTSLLMNAALDH1A1KDM4E
SCHEMBL9118704 0.72 POLB (0.63) ALDH1A1SMN1; SMN2KDM4EMAPTL3MBTL1
SCHEMBL10710278 0.72 C5AR1 (0.58) CTSVCTSLLMNASMN1; SMN2KDM4E

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 CTSV 3770/4885CTSL 3820/4885LMNA 2423/4885

“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.