SCHEMBL2439918

SCHEMBL2439918

CC(C)(C)C1CCC(Oc2ccc3ncccc3c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.47
PDE3B Q13370 2/20 0.47
PDE3A Q14432 2/20 0.47
ALDH1A1 P00352 3/20 0.45
TRPV1 Q8NER1 1/20 0.44
MAPT P10636 2/20 0.43
ATM Q13315 2/20 0.43
HTT P42858 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TP53 P04637 1/20 0.43
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
TSHR P16473 1/20 0.43
CASP1 P29466 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.40

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
SCHEMBL2439919 1.00 PDE10A (0.47) PDE10APDE3BPDE3AALDH1A1TRPV1
SCHEMBL5020201 0.90 ALDH1A1 (0.51) PDE10APDE3BPDE3AALDH1A1MAPT
SCHEMBL18274615 0.87 PDE10A (0.40) PDE10APDE3BPDE3AALDH1A1TRPV1
SCHEMBL18274616 0.87 PDE10A (0.40) PDE10APDE3BPDE3AALDH1A1TRPV1
SCHEMBL15551358 0.83 PDE3B (0.49) PDE10APDE3BPDE3AALDH1A1MAPT
SCHEMBL15551357 0.83 PDE3B (0.49) PDE10APDE3BPDE3AALDH1A1MAPT
SCHEMBL4674252 0.82 PDE3B (0.47) PDE10APDE3BPDE3AALDH1A1MAPT
SCHEMBL4674257 0.81 IKBKB (0.57) PDE10APDE3BPDE3AALDH1A1MAPT
Hydrochloric Acid SCHEMBL23360382 0.80 IKBKB (0.56) PDE10APDE3BPDE3AALDH1A1MAPT
SCHEMBL15583519 0.80 PDE10A (0.46) PDE10APDE3BPDE3ATRPV1MAPT

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 PDE10A 1475/4885PDE3B 2817/4885PDE3A 2645/4885
US-20150232492-A1 HETEROBICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR2, S1PR4 PDE10A 1475/4885PDE3B 2817/4885PDE3A 2645/4885
US-20140100195-A1 Heterobicyclic sphingosine 1-phosphate analogs S1PR1, S1PR2, S1PR4 PDE10A 1475/4885PDE3B 2817/4885PDE3A 2645/4885
US-20100160357-A1 Heterobicyclic sphingosine 1-phosphate analogs S1PR1, S1PR2, S1PR4 PDE10A 1475/4885PDE3B 2817/4885PDE3A 2645/4885
US-10081646-B2 Heterobicyclic sphingosine 1-phosphate analogs S1PR1, S1PR2, S1PR4 PDE10A 1475/4885PDE3B 2817/4885PDE3A 2645/4885

“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.