SCHEMBL4870379

SCHEMBL4870379

CCOC(=O)C1=CCN(C(=O)OC(C)Cl)CC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ SLC6A15 Q9H2J7 1/20 0.35
▸ GAA P10253 3/20 0.35
▸ TSHR P16473 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ RIN1 Q13671 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL6214637 0.87 MAPT (0.43) ALDH1A1HTTSMN1; SMN2POLBGAA
SCHEMBL12931062 0.80 ADORA1 (0.53) ALDH1A1SMN1; SMN2GAAADORA1LMNA
SCHEMBL11554285 0.77 MAPT (0.42) ALDH1A1SMN1; SMN2POLBGAATSHR
SCHEMBL1971079 0.75 CYP2C9 (0.42) ALDH1A1POLBTSHRKDM4ELMNA
Hydrochloric Acid SCHEMBL10419893 0.73 CYP2C9 (0.41) ALDH1A1POLBKDM4ELMNAHSD17B10
SCHEMBL5369547 0.73 GAA (0.41) ALDH1A1HTTSMN1; SMN2POLBSLC6A15
SCHEMBL31195159 0.72 ADORA1 (0.48) ALDH1A1SMN1; SMN2GAAADORA1LMNA
SCHEMBL7447957 0.71 MAPT (0.45) ALDH1A1HTTSMN1; SMN2POLBSLC6A15
SCHEMBL14243053 0.70 GRM5 (0.35) SMN1; SMN2POLBSLC6A15GAATSHR
SCHEMBL3151019 0.70 GAA (0.40) ALDH1A1SMN1; SMN2POLBSLC6A15GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080153809-A1 NOVEL AMIDES USEFUL FOR TREATING PAIN ABBOTT LABORATORIES (US) 2008-06-26 — — US disclosed
US-7348343-B2 Amides useful for treating pain ABBOTT LABORATORIES INC. (US) 2008-03-25 — — US disclosed
US-20070010557-A1 Novel amides useful for treating pain ABBVIE INC. 2007-01-11 — — US disclosed
US-20050009841-A1 Novel amides useful for treating pain ABBOTT LABORATORIES 2005-01-13 — — 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 (3 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-20050009841-A1 Novel amides useful for treating pain OPRL1, OPRK1, FAAH2 ALDH1A1 519/4885HTT 4066/4885SMN1; SMN2 894/4885
US-20070010557-A1 Novel amides useful for treating pain OPRL1, PDE6B, PDE6G ALDH1A1 364/4885HTT 3491/4885SMN1; SMN2 845/4885
US-20080153809-A1 NOVEL AMIDES USEFUL FOR TREATING PAIN OPRL1, OPRK1, OPRD1 ALDH1A1 592/4885HTT 4311/4885SMN1; SMN2 1162/4885

“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.

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