SCHEMBL6695050

SCHEMBL6695050

OCC1(c2ccccc2-c2ccccc2)CCCN1c1ccccc1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.38
HTR1A P08908 2/20 0.38
HTR2A P28223 1/20 0.38
HTR5A P47898 1/20 0.38
HTR6 P50406 1/20 0.38
SLC6A3 Q01959 2/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
MGLL Q99685 1/20 0.33
TSHR P16473 1/20 0.33
RECQL P46063 1/20 0.33
NPY5R Q15761 1/20 0.32
ALDH1A1 P00352 3/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
OPRL1 P41146 1/20 0.32
DHFR P00374 1/20 0.32
NPSR1 Q6W5P4 2/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL6695054 1.00 HTR7 (0.38) HTR7HTR1AHTR2AHTR5AHTR6
SCHEMBL6441275 1.00 HTR7 (0.38) HTR7HTR1AHTR2AHTR5AHTR6
SCHEMBL604857 0.74 SLC6A3 (0.40) HTR7HTR1AHTR2AHTR5AHTR6
SCHEMBL606912 0.67 CFB (0.39) SLC6A3SLC6A2SLC6A4TSHRALDH1A1
SCHEMBL246216 0.67 CFB (0.39) SLC6A3SLC6A2SLC6A4TSHRALDH1A1
SCHEMBL29908655 0.67 CFB (0.39) SLC6A3SLC6A2SLC6A4TSHRALDH1A1
SCHEMBL606913 0.67 CFB (0.39) SLC6A3SLC6A2SLC6A4TSHRALDH1A1
SCHEMBL9561702 0.66 CFB (0.38) SLC6A3SLC6A2SLC6A4TSHRALDH1A1
SCHEMBL23520286 0.65 MEN1 (0.31) ALDH1A1
SCHEMBL23497804 0.64 ALDH1A1 (0.33) HTR1ATSHRALDH1A1NPSR1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1409122-A2 CATALYTIC COMPOSITIONS AND METHODS FOR ASYMMETRIC ALDOL REACTIONS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2004-04-21 EP disclosed
US-20040019239-A1 Catalytic compositions and methods for asymmetric aldol reactions NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-01-29 US disclosed
US-20020147367-A1 Catalytic compositions and methods for asymmetric aldol reactions NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-10-10 US disclosed
WO-2002041984-A2 CATALYTIC COMPOSITIONS AND METHODS FOR ASYMMETRIC ALDOL REACTIONS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2002-05-30 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 (2 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-20020147367-A1 Catalytic compositions and methods for asymmetric aldol reactions ADH1C, ADH5, ADH1A HTR7 4245/4885HTR1A 3763/4885HTR2A 3304/4885
US-20040019239-A1 Catalytic compositions and methods for asymmetric aldol reactions ADH1C, ADH5, ADH1A HTR7 4245/4885HTR1A 3763/4885HTR2A 3304/4885

“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.