SCHEMBL3795214

SCHEMBL3795214

OC[C@@H](O)c1cc(I)ccc1Cl

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.34
▸ CYP2D6 P10635 5/20 0.33
▸ CYP3A4 P08684 5/20 0.33
▸ SLC6A2 P23975 4/20 0.33
▸ SLC6A4 P31645 4/20 0.33
▸ SLC6A3 Q01959 4/20 0.33
▸ KCNH2 Q12809 3/20 0.33
▸ ADRB2 P07550 2/20 0.33
▸ ADRB1 P08588 2/20 0.33
▸ AOC3 Q16853 1/20 0.33
▸ NFKB1 P19838 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ MAP2K1 Q02750 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL4421669 0.87 ALDH1A1 (0.34) —
SCHEMBL22097553 0.81 IDO1 (0.33) IDO1CYP2D6CYP3A4SLC6A2SLC6A4
SCHEMBL4190146 0.78 PDE2A (0.42) IDO1CYP2D6CYP3A4SLC6A2SLC6A4
SCHEMBL29256552 0.74 PDE2A (0.51) CYP2D6CYP3A4SLC6A4SLC6A3KCNH2
SCHEMBL29256553 0.74 PDE2A (0.51) CYP2D6CYP3A4SLC6A4SLC6A3KCNH2
SCHEMBL28773626 0.74 IDO1 (0.34) IDO1CYP1A2
SCHEMBL19334270 0.73 SLC6A2 (0.33) IDO1CYP2D6CYP3A4SLC6A2SLC6A4
SCHEMBL4298647 0.72 ADRB2 (0.56) IDO1CYP2D6CYP3A4SLC6A2SLC6A4
SCHEMBL12974095 0.72 GABRA1 (0.46) IDO1CYP3A4SLC6A2HIF1ABLM
SCHEMBL28773732 0.72 IDO1 (0.33) IDO1

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-7902394-B2 Calcilytic compounds GLAXOSMITHKLINE LLC (US) 2011-03-08 — — US disclosed
US-20100029782-A1 Calcilytic Compounds SMITHKLINE BEECHAM CORPORATION (US) 2010-02-04 — — US disclosed
EP-2120898-A1 CALCILYTIC COMPOUNDS SmithKline Beecham Corporation (US) 2009-11-25 — — EP disclosed
WO-2008077009-A1 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-06-26 — — WO 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-20100029782-A1 Calcilytic Compounds CALCR, CALCA, CALCB IDO1 4470/4885CYP2D6 648/4885CYP3A4 1447/4885

“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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