SCHEMBL2439690

SCHEMBL2439690

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.42
TRPV1 Q8NER1 1/20 0.39
HRH3 Q9Y5N1 4/20 0.38
SRC P12931 2/20 0.37
NPC1L1 Q9UHC9 1/20 0.36
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ENPP2 Q13822 1/20 0.34
CYP19A1 P11511 1/20 0.34
ABL1 P00519 1/20 0.34

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
SCHEMBL2439689 1.00 KCNH2 (0.42) KCNH2TRPV1HRH3SRCNPC1L1
SCHEMBL11030116 0.88 TRPV1 (0.42) KCNH2TRPV1HRH3SRCALDH1A1
SCHEMBL11027907 0.88 TRPV1 (0.42) KCNH2TRPV1HRH3SRCALDH1A1
SCHEMBL18532870 0.88 TRPV1 (0.42) KCNH2TRPV1HRH3SRCALDH1A1
SCHEMBL2445954 0.85 HRH3 (0.38) KCNH2TRPV1HRH3SRCNPC1L1
SCHEMBL2441306 0.85 HRH3 (0.38) KCNH2TRPV1HRH3SRCNPC1L1
SCHEMBL2775752 0.84 KCNH2 (0.43) KCNH2TRPV1HRH3SRCNPC1L1
SCHEMBL2775755 0.84 KCNH2 (0.43) KCNH2TRPV1HRH3SRCNPC1L1
SCHEMBL2777056 0.84 KCNH2 (0.43) KCNH2TRPV1HRH3SRCNPC1L1
SCHEMBL2452603 0.84 KCNH2 (0.43) KCNH2TRPV1HRH3SRCNPC1L1

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
US-10081646-B2 Heterobicyclic sphingosine 1-phosphate analogs BIOGEN MA INC. (US) 2018-09-25 US disclosed
US-20180002356-A1 HETEROBICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN MA INC. 2018-01-04 US disclosed
US-9708353-B2 Heterobicyclic sphingosine 1-phosphate analogs BIOGEN MA INC. (US) 2017-07-18 US disclosed
EP-2364089-B1 HETEROBICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN MA INC (US) 2016-12-07 EP 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
WO-2010051031-A1 HETEROBICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC MA INC. (US) 2010-05-06 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 (5 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-20180002356-A1 HETEROBICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR2, S1PR4 KCNH2 3308/4885TRPV1 589/4885HRH3 541/4885
US-20150232492-A1 HETEROBICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR2, S1PR4 KCNH2 3308/4885TRPV1 589/4885HRH3 541/4885
US-20140100195-A1 Heterobicyclic sphingosine 1-phosphate analogs S1PR1, S1PR2, S1PR4 KCNH2 3308/4885TRPV1 589/4885HRH3 541/4885
US-20100160357-A1 Heterobicyclic sphingosine 1-phosphate analogs S1PR1, S1PR2, S1PR4 KCNH2 3308/4885TRPV1 589/4885HRH3 541/4885
US-10081646-B2 Heterobicyclic sphingosine 1-phosphate analogs S1PR1, S1PR2, S1PR4 KCNH2 3308/4885TRPV1 589/4885HRH3 541/4885

“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.