SCHEMBL2952901

SCHEMBL2952901

CN(C)[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCN3)C1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.49
HTR2C P28335 6/20 0.41
HTR2B P41595 2/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
KCNH2 Q12809 2/20 0.41
BRD4 O60885 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
NAMPT P43490 1/20 0.40
TSHR P16473 1/20 0.40
HSD11B1 P28845 1/20 0.40
ALDH1A1 P00352 1/20 0.40
THRB P10828 1/20 0.40
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39

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
SCHEMBL2952905 1.00 MAPT (0.49) MAPTHTR2CHTR2BPIK3CDPIK3CB
SCHEMBL1155852 0.82 MEN1 (0.55) MAPT
SCHEMBL5355137 0.77 HTR2C (0.52) MAPTHTR2CHTR2BBRD4TSHR
SCHEMBL1156423 0.77 POLB (0.52) MAPTHTR2CHTR2BCA12CA1
SCHEMBL30555216 0.76 HTR2C (0.61) MAPTHTR2CHTR2BKCNH2BRD4
SCHEMBL31130054 0.76 HTR2C (0.68) MAPTHTR2CHTR2BBRD4CA12
SCHEMBL1156335 0.76 HTR2C (0.68) MAPTHTR2CHTR2BBRD4CA12
SCHEMBL31454312 0.75 LMNA (0.52) MAPTHTR2CHTR2BKCNH2TSHR
SCHEMBL23260601 0.75 PKM (0.59) TSHRALDH1A1
SCHEMBL6034697 0.74 USP5 (0.49) NAMPTTSHRHSD11B1ALDH1A1JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 MAPT 3168/4885HTR2C 2437/4885HTR2B 2398/4885

“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.