SCHEMBL2465636

SCHEMBL2465636

O=C(CC1CCCCC(O)N1)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.51
ALDH1A1 P00352 4/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TSHR P16473 1/20 0.45
FKBP1A P62942 1/20 0.41
EPHX1 P07099 1/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL9060376 0.82 GLA (0.59) GLAALDH1A1MAPK1L3MBTL1TSHR
SCHEMBL9038558 0.81 GLA (0.60) GLAALDH1A1MAPK1L3MBTL1TSHR
SCHEMBL25216322 0.80 GLA (0.52) GLAALDH1A1MAPK1L3MBTL1TSHR
SCHEMBL11996930 0.79 GLA (0.52) GLAALDH1A1MAPK1L3MBTL1TSHR
Hydrochloric Acid SCHEMBL25207544 0.78 GLA (0.51) GLAALDH1A1MAPK1L3MBTL1TSHR
SCHEMBL305021 0.78 ALDH1A1 (0.56) GLAALDH1A1MAPK1L3MBTL1EPHX1
SCHEMBL304920 0.77 NPC1 (0.55) GLAALDH1A1MAPK1L3MBTL1EPHX1
SCHEMBL26841565 0.76 GLA (0.51) GLAALDH1A1MAPK1L3MBTL1TSHR
SCHEMBL30467527 0.75 TSHR (0.51) GLAALDH1A1MAPK1L3MBTL1TSHR
SCHEMBL4143101 0.75 ALDH1A1 (0.59) GLAALDH1A1MAPK1L3MBTL1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541585-B2 N-acyl cyclic amine derivative or pharmaceutically acceptable salt thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-09-24 US disclosed
EP-2545046-A1 N-ACYL CYCLIC AMINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Dainippon Sumitomo Pharma Co., Ltd. (JP) 2013-01-16 EP disclosed
US-20120214790-A1 N-ACYL CYCLIC AMINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. 2012-08-23 US disclosed
WO-2011111875-A1 N-ACYL CYCLIC AMINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-09-15 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 (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-20120214790-A1 N-ACYL CYCLIC AMINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF GRIN2C, GRIN2A, GRIN2B GLA 1763/4885ALDH1A1 1350/4885MAPK1 934/4885

“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.