SCHEMBL1313264

SCHEMBL1313264

O=C(O)NCCn1nc(-c2ccccc2)cc1CO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
GABRP O00591 1/20 0.43
GABRD O14764 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43
GABRA4 P48169 1/20 0.43
GABRE P78334 1/20 0.43
GABRA6 Q16445 1/20 0.43
GABRG1 Q8N1C3 1/20 0.43
GABRG3 Q99928 1/20 0.43
GABRQ Q9UN88 1/20 0.43
HSD17B10 Q99714 2/20 0.43

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
SCHEMBL1313637 0.84 BRD9 (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL13285586 0.83 CYP11B1 (0.43) CA1CA2CA9GABRPGABRD
SCHEMBL13456817 0.79 CA1 (0.48) CA1CA2CA9GABRPGABRD
SCHEMBL26645519 0.77 MEN1 (0.30) HTT
SCHEMBL9900824 0.76 GRM5 (0.42) ALDH1A1HTTSMN1; SMN2
SCHEMBL3067048 0.73 L3MBTL1 (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL13870729 0.73 ALDH1A1 (0.57) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL14736124 0.72 PDE10A (0.59) HSD17B10ALDH1A1TSHRL3MBTL1KDM4E
SCHEMBL3065148 0.72 CYP2D6 (0.43) ALDH1A1CREBBPL3MBTL1CYP2D6POLB
SCHEMBL2524464 0.71 PDE10A (0.54) HSD17B10ALDH1A1TSHRL3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809538-B2 Piperidine-containing compounds and use thereof ARRAY BIOPHARMA INC. (US) 2014-08-19 US disclosed
US-20110275608-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF ARRAY BIOPHARMA INC. (US) 2011-11-10 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-20110275608-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF NOS1, NOS2, ASS1 CA1 476/4885CA2 2156/4885CA9 2065/4885

“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.