SCHEMBL1661677

SCHEMBL1661677

OC1CN(Cc2cc[c]c(F)c2)C1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 2/20 0.37
ALDH1A1 P00352 2/20 0.36
BRD4 O60885 1/20 0.36
HTT P42858 2/20 0.34
GBA1 P04062 2/20 0.33
LTA4H P09960 1/20 0.33
S1PR5 Q9H228 1/20 0.33
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
PARP1 P09874 1/20 0.32
MCHR1 Q99705 1/20 0.32

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
SCHEMBL1661473 0.85 ALDH1A1 (0.33) FUCA1ALDH1A1HTTS1PR5DPP4
SCHEMBL1661475 0.82 S1PR5 (0.51) S1PR5
SCHEMBL1661998 0.80 S1PR5 (0.36) ALDH1A1LTA4HS1PR5DPP4DPP8
SCHEMBL1662326 0.78 ALDH1A1 (0.50) ALDH1A1HTT
SCHEMBL29144178 0.76 NCF1 (0.40) ALDH1A1HTT
SCHEMBL18227584 0.75 FUCA1 (0.47) FUCA1ALDH1A1BRD4GBA1S1PR5
SCHEMBL1661531 0.75 MAP4K4 (0.38) ALDH1A1HTT
SCHEMBL1661217 0.75 S1PR5 (0.53) ALDH1A1LTA4HS1PR5
SCHEMBL1661132 0.75 S1PR5 (0.53) ALDH1A1LTA4HS1PR5
SCHEMBL1661451 0.75 S1PR5 (0.53) ALDH1A1LTA4HS1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2306994-B1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC (US) 2013-08-14 EP claimed
JP-2011524906-A 2011-09-08 JP claimed
EP-2306994-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF Amgen, Inc (US) 2011-04-13 EP claimed
US-7842685-B2 S1P1 receptor agonists and use thereof AMGEN INC. (US) 2010-11-30 US claimed
US-20100029611-A1 S1P1 receptor agonists and use thereof AMGEN INC. (US) 2010-02-04 US claimed
WO-2009154775-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC. (US) 2009-12-23 WO claimed
EP-2306994-B1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC (US) 2013-08-14 EP disclosed
EP-2306994-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF Amgen, Inc (US) 2011-04-13 EP disclosed
US-7842685-B2 S1P1 receptor agonists and use thereof AMGEN INC. (US) 2010-11-30 US disclosed
US-20100029611-A1 S1P1 receptor agonists and use thereof AMGEN INC. (US) 2010-02-04 US disclosed
WO-2009154775-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC. (US) 2009-12-23 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-20100029611-A1 S1P1 receptor agonists and use thereof S1PR1, S1PR5, S1PR2 FUCA1 1388/4885ALDH1A1 1637/4885BRD4 1720/4885

“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.