SCHEMBL3603588

SCHEMBL3603588

CCC(C)c1ccccc1OC1CCNCC1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 5/20 0.51
HTR1A P08908 2/20 0.48
SLC6A2 P23975 2/20 0.48
SLC6A3 Q01959 2/20 0.48
NISCH Q9Y2I1 1/20 0.47
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KHK P50053 1/20 0.42
TSHR P16473 1/20 0.41
SLC6A4 P31645 1/20 0.41
HTT P42858 1/20 0.40

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
SCHEMBL23057958 0.86 KDM4E (0.48) NISCHKDM4EL3MBTL1TSHRHTT
SCHEMBL22838553 0.86 KDM4E (0.48) HRH1HTR1ANISCHKDM4EL3MBTL1
SCHEMBL10267024 0.84 HRH1 (0.57) HRH1HTR1ASLC6A2SLC6A3NISCH
SCHEMBL4247388 0.78 HRH1 (0.57) HRH1HTR1ASLC6A2SLC6A3KDM4E
SCHEMBL19021076 0.77 PDE4D (0.46) NISCHKDM4EL3MBTL1TSHRHTT
SCHEMBL3606028 0.76 LMNA (0.44) HRH1KDM4EL3MBTL1HTT
SCHEMBL22435586 0.75 PDE4A (0.40) HTR1AKDM4EL3MBTL1HTT
SCHEMBL1780546 0.73 HRH1 (0.62) HRH1HTR1ASLC6A2SLC6A3SLC6A4
SCHEMBL1229562 0.73 HRH1 (0.62) HRH1HTR1ASLC6A2SLC6A3SLC6A4
SCHEMBL22871103 0.72 ADRA2A (0.44) HRH1HTR1ASLC6A2SLC6A3NISCH

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-20100004245-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-01-07 US disclosed
EP-2076509-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE Merck Frosst Canada Ltd. (CA) 2009-07-08 EP disclosed
WO-2008046226-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2008-04-24 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-20100004245-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, SREBF1 HRH1 4142/4885HTR1A 3310/4885SLC6A2 4725/4885

“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.