SCHEMBL1662511

SCHEMBL1662511

Fc1cc(C2OCCCO2)ccc1-c1nc2ccc(Br)cc2s1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
S1PR1 P21453 6/20 0.37
S1PR3 Q99500 3/20 0.36
ILK Q13418 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.33
F2RL3 Q96RI0 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33

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
SCHEMBL1661378 0.84 S1PR1 (0.49) NPC1RAB9AMAPTALDH1A1S1PR1
SCHEMBL1661668 0.81 S1PR1 (0.37) S1PR1S1PR3
SCHEMBL1661803 0.80 SMN1; SMN2 (0.46) NPC1RAB9AMAPTALDH1A1HTT
SCHEMBL1661552 0.80 S1PR1 (0.42) S1PR1S1PR3SMN1; SMN2
SCHEMBL1661746 0.80 S1PR1 (0.56) S1PR1S1PR3
SCHEMBL1661180 0.78 S1PR1 (0.38) S1PR1S1PR3
SCHEMBL17801761 0.78 NPC1 (0.48) NPC1RAB9AMAPTALDH1A1HTT
SCHEMBL1661945 0.77 S1PR1 (0.42) NPC1RAB9AMAPTALDH1A1HTT
SCHEMBL1661351 0.76 S1PR1 (0.61) NPC1RAB9AMAPTALDH1A1HTT
SCHEMBL1662041 0.76 S1PR1 (0.49) NPC1RAB9AMAPTALDH1A1HTT

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 5 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 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 APP 1382/4885NPC1 332/4885RAB9A 1996/4885

“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.