SCHEMBL5031698

SCHEMBL5031698

CCOC(=O)c1sccc1N(C(=O)[C@H]1CC[C@H](C)CC1)C1CCN(C)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
KDM4E B2RXH2 1/20 0.40
OPRM1 P35372 6/20 0.38
CACNA2D1 P54289 2/20 0.37
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP2C9 P11712 1/20 0.35
MAPT P10636 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
ATM Q13315 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
SCHEMBL5031700 1.00 ALDH1A1 (0.40) ALDH1A1KDM4EOPRM1CACNA2D1TP53
SCHEMBL2878269 0.89 ALDH1A1 (0.45) ALDH1A1OPRM1CACNA2D1MEN1KMT2A
SCHEMBL2878267 0.89 ALDH1A1 (0.45) ALDH1A1OPRM1CACNA2D1MEN1KMT2A
SCHEMBL14048965 0.79 OPRM1 (0.36) ALDH1A1OPRM1CACNA2D1POLB
SCHEMBL2431376 0.78 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL2431371 0.78 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL989690 0.76 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL2107036 0.76 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL6830100 0.76 ALDH1A1 (0.40) ALDH1A1KDM4EOPRM1CACNA2D1TP53
SCHEMBL2880725 0.75 SMN1; SMN2 (0.48) ALDH1A1OPRM1MEN1KMT2ACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7402608-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2008-07-22 US disclosed
US-20050009804-A1 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 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 (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-20050009804-A1 Compounds and methods for the treatment or prevention of Flavivirus infections ZC3HAV1, ZYX, ZFX ALDH1A1 1591/4885KDM4E 1505/4885OPRM1 4348/4885

“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.