SCHEMBL6152928

SCHEMBL6152928

Brc1ccc(OCc2ccccc2)c2c1C1CCC2C1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 7/20 0.47
SLC6A4 P31645 3/20 0.45
HTR1A P08908 2/20 0.45
SLC6A2 P23975 2/20 0.45
SLC6A3 Q01959 2/20 0.45
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
LIPE Q05469 1/20 0.40
CCR5 P51681 1/20 0.39

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
SCHEMBL6152462 0.80 LIPE (0.55) KDM1ASLC6A4HTR1ASLC6A2SLC6A3
SCHEMBL23192424 0.78 KDM1A (0.43) KDM1ASLC6A4HTR1ASLC6A2SLC6A3
SCHEMBL21517586 0.77 ATM (0.45) KDM1ASLC6A2SLC6A3TDP1KMT2A
SCHEMBL28455612 0.76 ADRA1A (0.56) HTR1AHTR2AHTR2C
SCHEMBL23599384 0.72 SLC6A4 (0.56) SLC6A4HTR1ASLC6A2SLC6A3RAB9A
SCHEMBL27281604 0.71 SLC6A4 (0.48) KDM1ASLC6A4HTR1ASLC6A2SLC6A3
SCHEMBL31725934 0.71 MAPT (0.65) HTR1AMAPTMAPK1TDP1L3MBTL1
SCHEMBL9340084 0.71 MAPT (0.65) HTR1AMAPTMAPK1TDP1L3MBTL1
SCHEMBL5392604 0.71 KDM1A (0.54) KDM1ASLC6A4HTR1ASLC6A2SLC6A3
SCHEMBL28918460 0.71 MAPK14 (0.50) SLC6A4HTR1AMAPTMAPK1TDP1

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-1084109-B1 2-AMINOPYRIDINES CONTAINING FUSED RING SUBSTITUENTS AS NITRIC OXIDE SYNTHASE INHIBITORS PFIZER PROD INC (US) 2005-01-26 EP disclosed
US-20040229911-A1 New pharmaceutical combinations for NOS inhibitors PFIZER INC 2004-11-18 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-20040229911-A1 New pharmaceutical combinations for NOS inhibitors NOS1, NOS3, NPBWR1 KDM1A 291/4885SLC6A4 332/4885HTR1A 629/4885

“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.