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SCHEMBL2445954

SCHEMBL2445954

CC(N)(COP(=O)(O)O)c1ccc2cc(O[C@H]3CC[C@H](C(C)(C)C)CC3)ccc2n1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 4/20 0.38
▸ TRPV1 Q8NER1 1/20 0.37
▸ KCNH2 Q12809 5/20 0.36
▸ S1PR1 P21453 6/20 0.35
▸ S1PR4 O95977 4/20 0.35
▸ S1PR5 Q9H228 4/20 0.35
▸ SRC P12931 2/20 0.35
▸ NPC1L1 Q9UHC9 1/20 0.34
▸ S1PR3 Q99500 4/20 0.34
▸ GCG P01275 1/20 0.33
▸ GCGR P47871 1/20 0.33
▸ GIPR P48546 1/20 0.33
▸ ENPP2 Q13822 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
SCHEMBL2441306 1.00 HRH3 (0.38) HRH3TRPV1KCNH2S1PR1S1PR4
SCHEMBL2453803 0.87 S1PR1 (0.37) HRH3TRPV1KCNH2S1PR1S1PR4
SCHEMBL2453805 0.87 S1PR1 (0.37) HRH3TRPV1KCNH2S1PR1S1PR4
SCHEMBL2453802 0.87 S1PR1 (0.37) HRH3TRPV1KCNH2S1PR1S1PR4
SCHEMBL2439689 0.85 KCNH2 (0.42) HRH3TRPV1KCNH2SRCNPC1L1
SCHEMBL2439690 0.85 KCNH2 (0.42) HRH3TRPV1KCNH2SRCNPC1L1
SCHEMBL2441337 0.82 KCNH2 (0.40) TRPV1KCNH2S1PR1S1PR4S1PR5
SCHEMBL2441346 0.82 KCNH2 (0.40) TRPV1KCNH2S1PR1S1PR4S1PR5
SCHEMBL2441341 0.82 KCNH2 (0.40) TRPV1KCNH2S1PR1S1PR4S1PR5
SCHEMBL11030116 0.81 TRPV1 (0.42) HRH3TRPV1KCNH2SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9708353-B2 Heterobicyclic sphingosine 1-phosphate analogs BIOGEN MA INC. (US) 2017-07-18 — — US disclosed
US-9181191-B2 Heterobicyclic sphingosine 1-phosphate analogs BIOGEN MA INC. (US) 2015-11-10 — — US disclosed
US-20150232492-A1 HETEROBICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN MA INC. 2015-08-20 — — US disclosed
US-20140100195-A1 Heterobicyclic sphingosine 1-phosphate analogs BIOGEN MA INC. 2014-04-10 — — US disclosed
US-8349849-B2 Heterobicyclic sphingosine 1-phosphate analogs BIOGEN IDEC MA INC. (US) 2013-01-08 — — US disclosed
EP-2364089-A1 HETEROBICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS Biogen Idec MA Inc. (US) 2011-09-14 — — EP disclosed
US-20100160357-A1 Heterobicyclic sphingosine 1-phosphate analogs BIOGEN MA INC. 2010-06-24 — — 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 (3 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-20150232492-A1 HETEROBICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR2, S1PR4 HRH3 541/4885TRPV1 589/4885KCNH2 3308/4885
US-20140100195-A1 Heterobicyclic sphingosine 1-phosphate analogs S1PR1, S1PR2, S1PR4 HRH3 541/4885TRPV1 589/4885KCNH2 3308/4885
US-20100160357-A1 Heterobicyclic sphingosine 1-phosphate analogs S1PR1, S1PR2, S1PR4 HRH3 541/4885TRPV1 589/4885KCNH2 3308/4885

“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.