SCHEMBL2963353

SCHEMBL2963353

O=S(=O)(c1ccccc1Cl)N1CCN(c2cccc3cn[nH]c23)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 3/20 0.49
NOS1 P29475 1/20 0.47
GBA1 P04062 1/20 0.46
LMNA P02545 2/20 0.45
USP2 O75604 1/20 0.45
POLB P06746 1/20 0.45
TSHR P16473 1/20 0.45
HTR6 P50406 3/20 0.44
HTR1A P08908 2/20 0.44
DRD2 P14416 1/20 0.44
HTR2A P28223 1/20 0.44
HTR7 P34969 1/20 0.44
MAPT P10636 4/20 0.44
HSD11B1 P28845 2/20 0.44
MAPK1 P28482 1/20 0.43
TP53 P04637 1/20 0.42
KDM2B Q8NHM5 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL2961244 0.81 TRPV1 (0.53) CHRM4NOS1GBA1LMNAPOLB
SCHEMBL17738553 0.80 ALDH1A1 (0.56) NOS1LMNAPOLBTSHRHTR1A
SCHEMBL2961026 0.79 CHRM4 (0.62) CHRM4GBA1LMNATSHRHTR6
SCHEMBL3223609 0.77 CHRM4 (0.57) CHRM4GBA1LMNATSHRHTR6
SCHEMBL5331434 0.74 CHRM4 (0.64) CHRM4GBA1LMNATSHRMAPT
SCHEMBL2961967 0.73 ALDH1A1 (0.61) CHRM4GBA1LMNAMAPTHSD11B1
SCHEMBL3216764 0.73 ALDH1A1 (0.64) CHRM4LMNAUSP2POLBTSHR
SCHEMBL2963243 0.73 CHRM4 (0.56) CHRM4GBA1LMNATSHRHTR6
SCHEMBL10723724 0.73 CHRM4 (0.64) CHRM4GBA1LMNAPOLBTSHR
SCHEMBL27630897 0.73 HTR1A (0.51) NOS1POLBTSHRHTR6HTR1A

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 8 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
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 CHRM4 4346/4885NOS1 3831/4885GBA1 2917/4885

“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.