SCHEMBL10174674

SCHEMBL10174674

CCc1ccc2[nH]cc(CC(=O)OC)c2c1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 3/20 0.56
HTR1B P28222 3/20 0.56
HTR1A P08908 2/20 0.56
KDM4E B2RXH2 1/20 0.52
GABRA1 P14867 1/20 0.52
GABRB2 P47870 1/20 0.52
PKM P14618 1/20 0.50
GPR84 Q9NQS5 1/20 0.48
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47

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
SCHEMBL17871724 0.88 KDM4E (0.61) HTR1AKDM4EPKMGPR84MTNR1A
SCHEMBL6131655 0.84 TSHR (0.66) HTR1DHTR1BHTR1AKDM4EGABRA1
SCHEMBL8528962 0.83 GPR84 (0.68) HTR1DHTR1BHTR1AKDM4EGPR84
SCHEMBL853729 0.83 NPSR1 (0.68) HTR1DHTR1BHTR1AKDM4E
SCHEMBL21255987 0.83 MTNR1A (0.59) HTR1DKDM4EPKMMTNR1AMTNR1B
SCHEMBL12013054 0.82 HTR1D (0.73) HTR1DHTR1BHTR1AGABRA1GABRB2
SCHEMBL29444458 0.82 MTNR1A (0.60) KDM4EGABRA1GABRB2PKMGPR84
SCHEMBL20769666 0.82 MTNR1A (0.60) KDM4EGPR84MTNR1AMTNR1B
SCHEMBL2686551 0.82 KDM4E (0.77) HTR1DHTR1BHTR1AKDM4EGPR84
SCHEMBL14487735 0.82 HPGD (0.58) HTR1DHTR1BHTR1AKDM4EPKM

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 9 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-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-07-12 US disclosed
EP-1550662-B1 ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO (JP) 2012-07-04 EP 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
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 HTR1D 129/4885HTR1B 515/4885HTR1A 167/4885
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, HRH4, P2RY10 HTR1D 159/4885HTR1B 447/4885HTR1A 144/4885

“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.