SCHEMBL2157585

SCHEMBL2157585

CC(C1CCN(C(=O)O)CC1)N(C(=O)c1ccc(Cl)cc1Cl)c1cc(-c2ccccc2)sc1C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ NPY1R P25929 1/20 0.34
▸ P2RX7 Q99572 1/20 0.33

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
SCHEMBL2157968 0.88 SMN1; SMN2 (0.40) —
SCHEMBL2157684 0.88 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3
SCHEMBL2158448 0.84 NPY1R (0.38) MCHR1NPY1R
SCHEMBL3815964 0.84 SLC6A12 (0.34) —
SCHEMBL2158689 0.83 CYP1A2 (0.40) —
SCHEMBL2158409 0.82 NPY1R (0.36) NPY1R
SCHEMBL2158749 0.82 CYP3A4 (0.40) —
SCHEMBL2157746 0.81 CYP1A2 (0.39) —
SCHEMBL2157419 0.81 NPY1R (0.36) MCHR1NPY1R
SCHEMBL14048989 0.81 CYP3A4 (0.39) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7985769-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-26 — — US disclosed
US-20060142347-A1 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2006-06-29 — — US disclosed
US-6881741-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2005-04-19 — — 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-20060142347-A1 Compounds and methods for the treatment or prevention of Flavivirus infections HAVCR2, ZC3HAV1, MAVS MCHR1 3432/4885SLC6A2 1520/4885SLC6A4 1918/4885

“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.

Send feedback