SCHEMBL10175375

SCHEMBL10175375

CCCCc1ccc(N2CCC(C(=O)OC)CC2)cc1C(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
ALDH1A1 P00352 2/20 0.44
LGMN Q99538 2/20 0.44
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
PDK2 Q15119 1/20 0.44
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
SLC6A3 Q01959 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.40
SIRT6 Q8N6T7 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
IKBKB O14920 1/20 0.39
HTR6 P50406 2/20 0.39
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL10174679 0.76 ALDH1A1 (0.44) MAPTALDH1A1LGMNTHRATHRB
SCHEMBL31204412 0.74 LGMN (0.46) MAPTALDH1A1LGMNPDE3BPDE3A
SCHEMBL29181083 0.72 SIRT6 (0.63) MAPTALDH1A1SIRT6MEN1KMT2A
SCHEMBL18700910 0.71 MAPT (0.58) MAPTALDH1A1LGMNPDE3BPDE3A
SCHEMBL13722497 0.70 NPC1 (0.60) MAPTALDH1A1PDE3BPDE3APDK2
Ammonia Solution, Strong SCHEMBL27818289 0.70 KDM4E (0.51) MAPTALDH1A1HSD17B10MEN1KMT2A
SCHEMBL22826631 0.70 TYR (0.42) ALDH1A1SLC6A3MEN1KMT2ASMN1; SMN2
SCHEMBL12082135 0.70 MAPT (0.68) MAPTALDH1A1LGMNPDE3BPDE3A
SCHEMBL27196623 0.69 LGMN (0.61) MAPTALDH1A1LGMNPDE3BPDE3A
SCHEMBL18640051 0.69 MAPT (0.55) MAPTALDH1A1LGMNPDE3BPDE3A

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-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-07-12 US disclosed
US-8148371-B2 Adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-04-03 US disclosed
US-8148371-B2 Adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-04-03 US disclosed
US-20100256118-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO.,LTD. (JP) 2010-10-07 US disclosed
US-20100256118-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO.,LTD. (JP) 2010-10-07 US disclosed
US-7754728-B2 Adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-13 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 (2 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-20100256118-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, P2RY10, HRH4 MAPT 3362/4885ALDH1A1 867/4885LGMN 4876/4885
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, HRH4, P2RY10 MAPT 3490/4885ALDH1A1 875/4885LGMN 4864/4885

“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.