SCHEMBL3930828

SCHEMBL3930828

CCOC(=O)C1Cc2ccccc2CN1C(=O)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CFTR P13569 17/20 0.68
NR1D1 P20393 3/20 0.59

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
SCHEMBL3933166 0.86 CFTR (0.66) CFTR
SCHEMBL8702211 0.83 NR1D1 (0.59) CFTRNR1D1
SCHEMBL8702216 0.83 NR1D1 (0.59) CFTRNR1D1
SCHEMBL29409298 0.82 NR1D1 (0.62) CFTRNR1D1
SCHEMBL28550513 0.82 NR1D1 (0.62) CFTRNR1D1
SCHEMBL3927560 0.82 CFTR (0.68) CFTR
SCHEMBL3927567 0.82 CFTR (0.68) CFTR
SCHEMBL28912058 0.81 NR1D1 (0.61) CFTRNR1D1
SCHEMBL29409308 0.81 NR1D1 (0.61) CFTRNR1D1
SCHEMBL16888938 0.80 NR1D1 (0.61) NR1D1

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-7541466-B2 Tetrahydroisoquinoline derivatives for treating protein trafficking diseases GENZYME CORPORATION (US) 2009-06-02 US disclosed
US-20050176761-A1 Tetrahydroisoquinoline derivatives for treating protein trafficking diseases GENZYME CORPORATION (US) 2005-08-11 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-20050176761-A1 Tetrahydroisoquinoline derivatives for treating protein trafficking diseases CFTR, NPC1L1, GOLT1B CFTR 1/4885NR1D1 868/4885

“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.