SCHEMBL21926862

SCHEMBL21926862

O=C(OCc1ccccc1)C1CCCN(I)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.53
GABRG2 P18507 1/20 0.53
GABRB3 P28472 1/20 0.53
GABRA3 P34903 1/20 0.53
GABRA2 P47869 1/20 0.53
GABRB2 P47870 1/20 0.53
ALDH1A1 P00352 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
HSD17B10 Q99714 1/20 0.51
CHRNB2 P17787 1/20 0.50
CHRNB4 P30926 1/20 0.50
CHRNA3 P32297 1/20 0.50
CHRNA4 P43681 1/20 0.50
NPC1 O15118 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
RAB9A P51151 1/20 0.49
CYP2C19 P33261 3/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48

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
SCHEMBL13287235 0.84 ALDH1A1 (0.54) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL2310807 0.84 GABRA1 (0.62) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL28898216 0.84 GABRA1 (0.62) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL28409668 0.84 GABRA1 (0.53) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL3409075 0.83 SMN1; SMN2 (0.57) NPC1SMN1; SMN2RAB9ACYP2C19FKBP1A
SCHEMBL4518604 0.83 L3MBTL1 (0.71) ALDH1A1L3MBTL1CHRNB2CHRNB4CHRNA3
SCHEMBL924014 0.83 GABRA1 (0.53) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL3664444 0.81 TSHR (0.58) ALDH1A1L3MBTL1NPC1SMN1; SMN2RAB9A
SCHEMBL2703515 0.81 FABP7 (0.55) ALDH1A1L3MBTL1NPC1SMN1; SMN2RAB9A
SCHEMBL9963139 0.81 ALDH1A1 (0.51) GABRA1GABRG2GABRB3GABRA3GABRA2

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-20200131125-A1 ARYL-PIPERIDINE DERIVATIVES ARTAX BIOPHARMA INC. 2020-04-30 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-20200131125-A1 ARYL-PIPERIDINE DERIVATIVES CD4, CD2, CCR1 GABRA1 1071/4885GABRG2 572/4885GABRB3 1262/4885

“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.