SCHEMBL2961244

SCHEMBL2961244

O=S(=O)(c1ccccc1Cl)N1CCN(c2cccc3[nH]ncc23)CC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.53
CHRM4 P08173 4/20 0.49
HTR6 P50406 3/20 0.48
NOS1 P29475 1/20 0.47
GBA1 P04062 3/20 0.46
HSD11B1 P28845 1/20 0.44
LMNA P02545 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
HTR2A P28223 1/20 0.42
HTR7 P34969 1/20 0.42
POLB P06746 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
SCHEMBL17739186 0.84 LMNA (0.54) TRPV1HTR6LMNAALDH1A1DRD2
SCHEMBL2963353 0.81 CHRM4 (0.49) CHRM4HTR6NOS1GBA1HSD11B1
SCHEMBL17738491 0.81 TRPV1 (0.46) TRPV1NOS1LMNAALDH1A1MAPT
SCHEMBL2953569 0.81 GAA (0.59) CHRM4HTR6GBA1HSD11B1LMNA
SCHEMBL17738539 0.80 ALDH1A1 (0.52) TRPV1LMNAALDH1A1POLB
SCHEMBL2961026 0.79 CHRM4 (0.62) CHRM4HTR6GBA1HSD11B1LMNA
SCHEMBL17738480 0.78 TRPV1 (0.44) TRPV1NOS1
SCHEMBL17738481 0.77 ALDH1A1 (0.46) TRPV1NOS1GBA1ALDH1A1POLB
SCHEMBL17738487 0.77 KDM4E (0.49) TRPV1ALDH1A1MAPTPOLB
SCHEMBL17738478 0.77 TRPV1 (0.47) TRPV1NOS1GBA1ALDH1A1POLB

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 TRPV1 4850/4885CHRM4 4346/4885HTR6 2422/4885

“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.