SCHEMBL6441060

SCHEMBL6441060

Cc1ccccc1N1CCC[C@@]1(CO)c1ccccc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 1/20 0.36
ADRA1B P35368 2/20 0.36
HTR1A P08908 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
FFAR1 O14842 1/20 0.34
ADRB1 P08588 1/20 0.34
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
KDM4E B2RXH2 1/20 0.34
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
AKR1C3 P42330 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
SLC18A3 Q16572 1/20 0.33

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
SCHEMBL6695050 0.76 HTR7 (0.38) OPRM1OPRD1OPRK1OPRL1HTR1A
SCHEMBL6695054 0.76 HTR7 (0.38) OPRM1OPRD1OPRK1OPRL1HTR1A
SCHEMBL604857 0.75 SLC6A3 (0.40) HTR1AALDH1A1TSHRKDM4EMEN1
SCHEMBL604859 0.75 SLC6A3 (0.40) HTR1AALDH1A1TSHRKDM4EMEN1
SCHEMBL22245613 0.67 SMN1; SMN2 (0.40) ADRA1BHTR1ASMN1; SMN2FFAR1ALDH1A1
SCHEMBL23555148 0.65 ADRB1 (0.50) ADRA1BHTR1ASMN1; SMN2ADRB1ALDH1A1
SCHEMBL3436331 0.65 ADRB1 (0.50) ADRA1BHTR1ASMN1; SMN2ADRB1ALDH1A1
SCHEMBL29908655 0.65 CFB (0.39) OPRM1OPRD1OPRL1SMN1; SMN2FFAR1
SCHEMBL606912 0.65 CFB (0.39) OPRM1OPRD1OPRL1SMN1; SMN2FFAR1
SCHEMBL246216 0.65 CFB (0.39) OPRM1OPRD1OPRL1SMN1; SMN2FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6919456-B2 Catalytic compositions and methods for asymmetric aldol reactions THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2005-07-19 US disclosed
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-6610889-B2 Using organometallic complex catalyst THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2003-08-26 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 HDAC4 3760/4885OPRM1 1540/4885OPRD1 1805/4885
US-20040019239-A1 Catalytic compositions and methods for asymmetric aldol reactions ADH1C, ADH5, ADH1A HDAC4 3760/4885OPRM1 1540/4885OPRD1 1805/4885

“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.