SCHEMBL10174732

SCHEMBL10174732

CCc1ccc(C(=O)OCCN2CCN(C)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.64
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
ATM Q13315 1/20 0.55
DRD3 P35462 4/20 0.54
DRD2 P14416 1/20 0.52
SLC29A1 Q99808 1/20 0.51
KCNJ1 P48048 1/20 0.50
KCNH2 Q12809 1/20 0.50
CHKA P35790 1/20 0.49
ALDH1A1 P00352 2/20 0.49
CYP2C9 P11712 1/20 0.49
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48
CYP2D6 P10635 1/20 0.48

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
SCHEMBL10174568 0.86 ATM (0.75) KMT2AMEN1ATMALDH1A1KDM4E
SCHEMBL2663560 0.85 HRH3 (0.71) HRH3KMT2AMEN1ATMDRD3
SCHEMBL1979654 0.83 CHKA (0.60) HRH3DRD3CHKAALDH1A1KDM4E
SCHEMBL347958 0.79 CHKA (0.62) HRH3KMT2AMEN1KCNJ1KCNH2
SCHEMBL12132530 0.78 KMT2A (0.58) HRH3KMT2AMEN1ATMDRD3
SCHEMBL17754529 0.77 KMT2A (0.65) HRH3KMT2AMEN1ATMKCNJ1
SCHEMBL9059107 0.77 HRH3 (0.60) HRH3KMT2AMEN1ATMDRD3
SCHEMBL4633541 0.76 CHKA (0.58) HRH3KMT2AMEN1KCNJ1KCNH2
SCHEMBL8299898 0.76 KMT2A (0.60) HRH3KMT2AMEN1ATMDRD3
SCHEMBL10952527 0.76 ALDH1A1 (0.72) KMT2AMEN1ALDH1A1CYP2C9KDM4E

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 HRH3 12/4885KMT2A 2009/4885MEN1 4687/4885
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, HRH4, P2RY10 HRH3 10/4885KMT2A 1817/4885MEN1 4641/4885

“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.