SCHEMBL18532874

SCHEMBL18532874

Cc1nc2cc(OC3CCC(C(C)(C)C)CC3)ccc2s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 1/20 0.41
▸ TRPV1 Q8NER1 2/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ POLB P06746 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ TNK2 Q07912 1/20 0.37
▸ KMT2A Q03164 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ SRC P12931 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35

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
SCHEMBL11942502 1.00 PDE10A (0.41) PDE10ATRPV1SMN1; SMN2NPC1RAB9A
SCHEMBL1161758 1.00 PDE10A (0.41) PDE10ATRPV1SMN1; SMN2NPC1RAB9A
SCHEMBL11942503 0.83 TRPV1 (0.37) TRPV1SMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL11029907 0.83 TRPV1 (0.37) TRPV1SMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL29594975 0.82 IKBKB (0.48) PDE10ASMN1; SMN2NPC1RAB9AHSD17B10
SCHEMBL20321364 0.82 IKBKB (0.48) PDE10ASMN1; SMN2NPC1RAB9AHSD17B10
SCHEMBL17339946 0.81 MAOA (0.45) PDE10ASMN1; SMN2NPC1RAB9AHSD17B10
SCHEMBL19267940 0.79 HDAC6 (0.45) TRPV1NPC1L3MBTL1KCNH2NPC1L1
SCHEMBL15583519 0.75 PDE10A (0.46) PDE10ATRPV1POLBMAPTSRC
SCHEMBL1161790 0.75 PDE10A (0.46) PDE10ATRPV1POLBMAPTSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190209592-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN MA INC. 2019-07-11 — — US disclosed
US-10166250-B2 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN MA INC. (US) 2019-01-01 — — US disclosed
US-20180133233-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN MA INC. 2018-05-17 — — US disclosed
US-9827258-B2 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN MA INC. (US) 2017-11-28 — — US disclosed
US-20170239280-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN MA INC. 2017-08-24 — — US disclosed
US-9572824-B2 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN MA INC. (US) 2017-02-21 — — 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 (4 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-20170239280-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR3, S1PR4 PDE10A 859/4885TRPV1 520/4885SMN1; SMN2 1597/4885
US-20180133233-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR3, S1PR4 PDE10A 120/4885TRPV1 1285/4885SMN1; SMN2 1902/4885
US-10166250-B2 Bicyclic aryl sphingosine 1-phosphate analogs S1PR1, S1PR3, S1PR4 PDE10A 120/4885TRPV1 1285/4885SMN1; SMN2 1902/4885
US-20190209592-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR3, S1PR4 PDE10A 859/4885TRPV1 520/4885SMN1; SMN2 1597/4885

“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.

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