SCHEMBL2953569

SCHEMBL2953569

O=S(=O)(c1ccccc1Cl)N1CCN(c2cccc3[nH]ccc23)CC1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.59
MAPT P10636 4/20 0.59
DRD2 P14416 1/20 0.54
DRD4 P21917 1/20 0.54
DRD3 P35462 1/20 0.54
HTR6 P50406 2/20 0.52
ADRB1 P08588 1/20 0.52
RECQL P46063 1/20 0.52
GOT1 P17174 6/20 0.49
CHRM4 P08173 2/20 0.48
HSD11B1 P28845 1/20 0.45
HTR1A P08908 1/20 0.45
GBA1 P04062 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL2961026 0.81 CHRM4 (0.62) MAPTHTR6CHRM4HSD11B1GBA1
SCHEMBL2961244 0.81 TRPV1 (0.53) MAPTDRD2HTR6CHRM4HSD11B1
SCHEMBL6863838 0.79 ADRB1 (0.60) GAAMAPTDRD2DRD4DRD3
SCHEMBL3223609 0.79 CHRM4 (0.57) MAPTDRD2DRD4DRD3HTR6
SCHEMBL5331434 0.76 CHRM4 (0.64) GAAMAPTCHRM4HSD11B1GBA1
SCHEMBL2963243 0.75 CHRM4 (0.56) MAPTHTR6CHRM4HSD11B1GBA1
SCHEMBL2961967 0.75 ALDH1A1 (0.61) GAAMAPTCHRM4HSD11B1GBA1
SCHEMBL3216764 0.75 ALDH1A1 (0.64) MAPTCHRM4HSD11B1LMNA
SCHEMBL10723724 0.75 CHRM4 (0.64) MAPTCHRM4GBA1LMNA
SCHEMBL3223553 0.74 CHRM4 (0.61) MAPTHTR6CHRM4GBA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7759339-B2 Hydroxysteroid dehydrogenase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-07-20 US claimed
EP-1866298-A2 HYDROXYSTEROID DEHYDROGENASE INHIBITORS Takeda San Diego, Inc. (US) 2007-12-19 EP claimed
WO-2006105127-A2 HYDROXYSTEROID DEHYDROGENASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-10-05 WO claimed
US-20060223829-A1 Hydroxysteroid dehydrogenase inhibitors TAKEDA SAN DIEGO, INC. 2006-10-05 US claimed
US-7759339-B2 Hydroxysteroid dehydrogenase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-07-20 US disclosed
US-7759339-B2 Hydroxysteroid dehydrogenase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-07-20 US disclosed
US-7759339-B2 Hydroxysteroid dehydrogenase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-07-20 US disclosed
EP-1866298-A2 HYDROXYSTEROID DEHYDROGENASE INHIBITORS Takeda San Diego, Inc. (US) 2007-12-19 EP disclosed
WO-2006105127-A2 HYDROXYSTEROID DEHYDROGENASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-10-05 WO disclosed
US-20060223829-A1 Hydroxysteroid dehydrogenase inhibitors TAKEDA SAN DIEGO, INC. 2006-10-05 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-20060223829-A1 Hydroxysteroid dehydrogenase inhibitors HSD17B1, HSD17B3, HSD17B2 GAA 455/4885MAPT 3168/4885DRD2 2609/4885

“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.