SCHEMBL4609661

SCHEMBL4609661

c1ccc(C(OC[C@H]2CO2)C2CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.51
TDP1 Q9NUW8 1/20 0.47
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
ALDH1A1 P00352 2/20 0.40
GLA P06280 1/20 0.40
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HIF1A Q16665 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MGLL Q99685 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36

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
SCHEMBL4609664 1.00 IDO1 (0.51) IDO1TDP1SLC6A2SLC6A4SLC6A3
SCHEMBL1170735 0.85 TDP1 (0.49) IDO1TDP1SLC6A2SLC6A4SLC6A3
SCHEMBL14502702 0.80 ALDH1A1 (0.47) IDO1TDP1SLC6A2SLC6A4SLC6A3
SCHEMBL4609594 0.80 ALDH1A1 (0.47) IDO1TDP1SLC6A2SLC6A4SLC6A3
SCHEMBL4609592 0.80 ALDH1A1 (0.47) IDO1TDP1SLC6A2SLC6A4SLC6A3
SCHEMBL3431728 0.79 TDP1 (0.53) TDP1ALDH1A1GLATP53CYP3A4
SCHEMBL11017322 0.79 TDP1 (0.53) TDP1SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL6743415 0.78 TDP1 (0.39) IDO1TDP1ALDH1A1GLATP53
SCHEMBL6742323 0.78 TDP1 (0.39) IDO1TDP1ALDH1A1GLATP53
SCHEMBL17226943 0.78 TDP1 (0.39) IDO1TDP1ALDH1A1GLATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1308436-B1 CALCIUM RECEPTOR ANTAGONISTS JAPAN TOBACCO INC (JP) 2008-10-15 EP disclosed
EP-1308436-B1 CALCIUM RECEPTOR ANTAGONISTS JAPAN TOBACCO INC (JP) 2008-10-15 EP disclosed
US-7211685-B2 Calcium receptor antagonists JAPAN TOBACCO INC. (JP) 2007-05-01 US disclosed
US-7211685-B2 Calcium receptor antagonists JAPAN TOBACCO INC. (JP) 2007-05-01 US disclosed
US-7211685-B2 Calcium receptor antagonists JAPAN TOBACCO INC. (JP) 2007-05-01 US disclosed
US-6916956-B2 Calcium receptor antagonist JAPAN TOBACCO, INC. (JP) 2005-07-12 US disclosed
US-20050107448-A1 Calcium receptor antagonists JAPAN TABACCO INC. 2005-05-19 US disclosed
US-20040006130-A1 Calcium receptor antagonist JAPAN TOBACCO INC (JP) 2004-01-08 US disclosed
EP-1308436-A1 CALCIUM RECEPTOR ANTAGONISTS JAPAN TOBACCO INC. (JP) 2003-05-07 EP 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 (2 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-20050107448-A1 Calcium receptor antagonists CASR, CALCR, CALCRL IDO1 3897/4885TDP1 3746/4885SLC6A2 2516/4885
US-20040006130-A1 Calcium receptor antagonist CALCRL, CASR, CALCR IDO1 3541/4885TDP1 2861/4885SLC6A2 2697/4885

“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.