SCHEMBL4576875

SCHEMBL4576875

CCCCOC(=O)Cc1cccc(N2CCNCC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 2/20 0.46
ADRB1 P08588 3/20 0.45
FAAH O00519 1/20 0.44
HTR7 P34969 5/20 0.44
HTR1A P08908 3/20 0.44
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
THRB P10828 1/20 0.44
CYP2C9 P11712 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
SLC6A4 P31645 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTR2B P41595 1/20 0.44
HTT P42858 1/20 0.44
HTR3A P46098 1/20 0.44

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
SCHEMBL10902418 0.85 MAPT (0.48) ADRB1HTR3EHTR3BTP53HTR3A
SCHEMBL4577325 0.83 ADRB1 (0.55) ADRB1FAAHHTR7HTR1AHTR3E
SCHEMBL7415674 0.81 TLR2 (0.55) TLR2ADRB1HTR7HTR1AHTR3E
SCHEMBL14447637 0.80 CRBN (0.47) HTR2AHTR2CHTR2BL3MBTL1
SCHEMBL23256393 0.77 ITGB3 (0.60) ADRB1FAAHHTR7HTR1AHTR3E
SCHEMBL10899597 0.76 ME2 (0.55) ADRB1HTR3EHTR3BTP53CYP2D6
SCHEMBL8852497 0.76 TSHR (0.48) CYP1A2CYP3A4CYP2C9CYP2C19L3MBTL1
SCHEMBL5238923 0.75 HTR7 (0.50) ADRB1FAAHHTR7HTR1AHTR3E
SCHEMBL15682617 0.75 HTR7 (0.50) ADRB1FAAHHTR7HTR1AHTR3E
SCHEMBL13948677 0.74 KMT2A (0.48) CYP3A4L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080269240-A1 Novel Adenine Compound Dainippon Sumitomo Pharma Co., Ltd. a corporation of Japan (JP) 2008-10-30 US disclosed
US-20080269240-A1 Novel Adenine Compound Dainippon Sumitomo Pharma Co., Ltd. a corporation of Japan (JP) 2008-10-30 US disclosed
US-20080269240-A1 Novel Adenine Compound Dainippon Sumitomo Pharma Co., Ltd. a corporation of Japan (JP) 2008-10-30 US disclosed
EP-1939199-A1 NOVEL ADENINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-07-02 EP disclosed
EP-1939199-A1 NOVEL ADENINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-07-02 EP 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 (1 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-20080269240-A1 Novel Adenine Compound ADORA1, ADORA2A, ADORA3 TLR2 929/4885ADRB1 53/4885FAAH 2347/4885

“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.