SCHEMBL2963243

SCHEMBL2963243

Nc1ccccc1N1CCN(S(=O)(=O)c2ccccc2Cl)CC1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 7/20 0.56
KMT2A Q03164 1/20 0.53
HSD11B1 P28845 1/20 0.52
ADRA2C P18825 1/20 0.49
GBA1 P04062 1/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 1/20 0.48
KEAP1 Q14145 1/20 0.47
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GCK P35557 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM5 P08912 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
HTR6 P50406 1/20 0.45
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 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 0.89 CHRM4 (0.62) CHRM4KMT2AHSD11B1GBA1LMNA
SCHEMBL3223609 0.84 CHRM4 (0.57) CHRM4KMT2AHSD11B1GBA1LMNA
SCHEMBL5331434 0.84 CHRM4 (0.64) CHRM4KMT2AHSD11B1GBA1LMNA
SCHEMBL3216764 0.82 ALDH1A1 (0.64) CHRM4KMT2AHSD11B1LMNAMAPT
SCHEMBL2961967 0.82 ALDH1A1 (0.61) CHRM4KMT2AHSD11B1GBA1LMNA
SCHEMBL10723724 0.82 CHRM4 (0.64) CHRM4KMT2AGBA1LMNAMAPT
SCHEMBL2962903 0.81 NPC1 (0.55) CHRM4KMT2AHSD11B1GBA1LMNA
SCHEMBL2959432 0.79 CHRM4 (0.52) CHRM4KMT2AHSD11B1GBA1LMNA
SCHEMBL2950399 0.79 SMN1; SMN2 (0.74) KMT2ALMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL3212651 0.79 HSD11B1 (0.67) CHRM4KMT2AHSD11B1GBA1ALDH1A1

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 CHRM4 4346/4885KMT2A 3335/4885HSD11B1 7/4885

“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.