SCHEMBL4591768

SCHEMBL4591768

COC(=O)Cc1cccc(OCCN(C)C(=O)CCl)c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.50
LTB4R2 Q9NPC1 1/20 0.50
CYP2D6 P10635 8/20 0.45
SIGMAR1 Q99720 1/20 0.45
KCNH2 Q12809 4/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 3/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
SLC7A5 Q01650 1/20 0.41

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
SCHEMBL28467850 0.85 CHRNB2 (0.56) LTB4RLTB4R2CYP2D6KDM4EALDH1A1
SCHEMBL2768717 0.82 SLC7A5 (0.48) SIGMAR1KDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL2767522 0.82 SLC7A5 (0.48) CYP2D6KCNH2KDM4EALDH1A1HTT
SCHEMBL25495948 0.81 KDM4E (0.56) CYP2D6KDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL13849587 0.81 LTA4H (0.51) LTB4RLTB4R2CYP2D6KCNH2KDM4E
SCHEMBL14025120 0.81 ACHE (0.49) CYP2D6KDM4E
SCHEMBL4591522 0.78 KDM4E (0.52) KDM4EALDH1A1SMN1; SMN2LMNASLC7A5
SCHEMBL28588436 0.78 KMT2A (0.55) CYP2D6KCNH2KDM4EALDH1A1SMN1; SMN2
SCHEMBL3334714 0.78 ALDH1A1 (0.51) CYP2D6KDM4EALDH1A1SMN1; SMN2SLC7A5
SCHEMBL27174647 0.78 SMN1; SMN2 (0.51) LTB4RLTB4R2KDM4EALDH1A1SMN1; SMN2

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 LTB4R 969/4885LTB4R2 599/4885CYP2D6 180/4885

“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.