SCHEMBL3529262

SCHEMBL3529262

Clc1ccccc1N1CCN(c2nccs2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.49
SLC6A7 Q99884 1/20 0.49
DRD2 P14416 4/20 0.49
RAB9A P51151 2/20 0.49
DRD4 P21917 2/20 0.49
DRD3 P35462 2/20 0.49
NPC1 O15118 1/20 0.49
MEN1 O00255 4/20 0.48
SCD O00767 1/20 0.47
ADRB1 P08588 1/20 0.46
TSHR P16473 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
PLA2G1B P04054 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
OGA O60502 1/20 0.42
HTR1A P08908 1/20 0.42
HTR2A P28223 1/20 0.42

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
SCHEMBL3529417 0.83 ALDH1A1 (0.55) HSD17B10SLC6A7RAB9ADRD4DRD3
SCHEMBL14206747 0.83 ADRA2C (0.56) HSD17B10SLC6A7DRD2RAB9ADRD4
SCHEMBL29102030 0.80
SCHEMBL3016546 0.78 RAB9A (0.65) HSD17B10SLC6A7DRD2RAB9ADRD4
SCHEMBL14206746 0.77 HTT (0.52) HSD17B10SLC6A7RAB9ADRD4NPC1
Hydrochloric Acid SCHEMBL27752386 0.77 RAB9A (0.63) HSD17B10SLC6A7DRD2RAB9ADRD4
SCHEMBL28396664 0.76 ADRB1 (0.71) DRD2RAB9ADRD4DRD3ADRB1
SCHEMBL2628934 0.75 HRH1 (0.57) SLC6A7DRD2RAB9ADRD4NPC1
SCHEMBL3147981 0.75 DRD2 (0.43) HSD17B10SLC6A7DRD2RAB9ADRD4
SCHEMBL3950684 0.74 ADRA2C (0.45) HSD17B10SLC6A7DRD2RAB9ADRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070142353-A1 ANTIBACTERIAL COMPOUNDS ABBVIE INC. 2007-06-21 US claimed
US-7196200-B2 Antibacterial compounds ABBOTT LABORATORIES (US) 2007-03-27 US claimed
US-20050159423-A1 Antibacterial compounds ABBOTT LABORATORIES 2005-07-21 US claimed
US-7737159-B2 Antibacterial compounds ABBOTT LABORATORIES (US) 2010-06-15 US disclosed
US-20070142353-A1 ANTIBACTERIAL COMPOUNDS ABBVIE INC. 2007-06-21 US disclosed
US-7196200-B2 Antibacterial compounds ABBOTT LABORATORIES (US) 2007-03-27 US disclosed
US-20050159423-A1 Antibacterial compounds ABBOTT LABORATORIES 2005-07-21 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 (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-20070142353-A1 ANTIBACTERIAL COMPOUNDS MRPL21, FDPS, PGLS HSD17B10 1808/4885SLC6A7 254/4885DRD2 4721/4885
US-20050159423-A1 Antibacterial compounds MRPL21, FDPS, PGLS HSD17B10 1808/4885SLC6A7 254/4885DRD2 4721/4885

“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.