SCHEMBL6706434

SCHEMBL6706434

O=C(O)CC1CCN(C2CCNCC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 3/20 0.52
GABRB2 P47870 3/20 0.52
SLC6A1 P30531 2/20 0.52
SLC6A12 P48065 2/20 0.52
SLC6A11 P48066 2/20 0.52
SLC6A13 Q9NSD5 2/20 0.52
GABRA1 P14867 2/20 0.52
GABRA4 P48169 2/20 0.52
GABRR1 P24046 1/20 0.52
ITGB3 P05106 4/20 0.41
ITGA2B P08514 4/20 0.41
HTR2A P28223 1/20 0.40
HRH1 P35367 1/20 0.40
HTR2B P41595 1/20 0.40
L3MBTL3 Q96JM7 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
TSHR P16473 1/20 0.36
GABRB1 P18505 1/20 0.36

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
SCHEMBL16499811 0.87 HTR2A (0.44) GABRA5GABRB2SLC6A1SLC6A12SLC6A11
SCHEMBL14810346 0.83 HTR2A (0.42) GABRA5GABRB2SLC6A1SLC6A12SLC6A11
SCHEMBL27501007 0.83 ITGB3 (0.44) GABRA5GABRB2SLC6A1SLC6A12SLC6A11
Hydrochloric Acid SCHEMBL14810464 0.81 HTR2A (0.41) GABRA5GABRB2SLC6A1SLC6A12SLC6A11
SCHEMBL44579 0.80 GABRA5 (0.75) GABRA5GABRB2SLC6A1SLC6A12SLC6A11
SCHEMBL31306492 0.79 GBA1 (0.36) GABRA5GABRA1ITGB3ITGA2BL3MBTL3
SCHEMBL12881610 0.79 ALDH1A1 (0.46) GABRA5GABRB2SLC6A1SLC6A12SLC6A11
Hydrochloric Acid SCHEMBL1967312 0.78 GABRA5 (0.72) GABRA5GABRB2SLC6A1SLC6A12SLC6A11
SCHEMBL24735223 0.78 L3MBTL3 (0.35) ITGB3ITGA2BL3MBTL3L3MBTL1
SCHEMBL12883653 0.78 POLB (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040192729-A1 Carboxylic acids and the esters thereof, pharmaceutical compositions thereto and processes for the preparation thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-09-30 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-20040192729-A1 Carboxylic acids and the esters thereof, pharmaceutical compositions thereto and processes for the preparation thereof NPY1R, ADCY1, SRD5A1 GABRA5 280/4885GABRB2 952/4885SLC6A1 216/4885

“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.