SCHEMBL1663604

SCHEMBL1663604

O=C(O)C1(F)CN(Cc2cc[c]c(F)c2)C1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.34
TSHR P16473 1/20 0.34
SSTR5 P35346 2/20 0.34
SIGMAR1 Q99720 2/20 0.33
SLC6A1 P30531 1/20 0.33
LTA4H P09960 1/20 0.32
CYP2C9 P11712 1/20 0.31
HIF1A Q16665 1/20 0.31
GAA P10253 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
USP2 O75604 1/20 0.31
FAAH O00519 2/20 0.31
CCR3 P51677 1/20 0.31
KMT2A Q03164 1/20 0.30
CPB2 Q96IY4 1/20 0.30

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
SCHEMBL1662291 0.87 CYP2D6 (0.34) CYP2D6TSHRSSTR5SIGMAR1CYP2C9
SCHEMBL1661531 0.82 MAP4K4 (0.38) KMT2A
SCHEMBL1661475 0.76 S1PR5 (0.51) SIGMAR1
SCHEMBL1661998 0.74 S1PR5 (0.36) TSHRSIGMAR1LTA4HCCR3
SCHEMBL1662326 0.72 ALDH1A1 (0.50) GAAKMT2A
SCHEMBL1661217 0.72 S1PR5 (0.53) LTA4HCYP1A2HPGDCCR3
SCHEMBL1661451 0.72 S1PR5 (0.53) LTA4HCYP1A2HPGDCCR3
SCHEMBL1661132 0.72 S1PR5 (0.53) LTA4HCYP1A2HPGDCCR3
SCHEMBL1661677 0.72 FUCA1 (0.37) LTA4H
SCHEMBL1661473 0.70 ALDH1A1 (0.33) KMT2A

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 CYP2D6 3405/4885TSHR 349/4885SSTR5 109/4885

“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.