SCHEMBL3313142

SCHEMBL3313142

COc1cc(C)c(S(=O)(=O)N2CCCCC2COCC(=O)N2CCC3(CC2)CCC(c2cccc(F)c2)(N2CCCC2)CC3)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 16/20 0.37
HSD17B10 Q99714 1/20 0.37
TSHR P16473 1/20 0.37
HIF1A Q16665 1/20 0.37
CYP3A4 P08684 1/20 0.35
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL3310098 0.92 BDKRB1 (0.40) BDKRB1HSD17B10CYP3A4ALDH1A1
SCHEMBL3408124 0.92 BDKRB1 (0.41) BDKRB1HSD17B10TSHRHIF1AALDH1A1
SCHEMBL3314535 0.92 BDKRB1 (0.39) BDKRB1HSD17B10CYP3A4ALDH1A1
SCHEMBL3314543 0.92 BDKRB1 (0.39) BDKRB1HSD17B10CYP3A4ALDH1A1
SCHEMBL3316351 0.90 BDKRB1 (0.40) BDKRB1HSD17B10TSHRHIF1A
SCHEMBL3316346 0.90 BDKRB1 (0.40) BDKRB1HSD17B10TSHRHIF1A
SCHEMBL12694732 0.90 HSD17B10 (0.35) HSD17B10TSHRHIF1ACYP3A4ALDH1A1
SCHEMBL12694771 0.89 NPC1 (0.36) BDKRB1TSHRCYP3A4ALDH1A1KMT2A
SCHEMBL3829718 0.89 ALDH1A1 (0.41) BDKRB1HSD17B10TSHRHIF1AALDH1A1
SCHEMBL3312085 0.88 BDKRB1 (0.37) BDKRB1TSHRCYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8278319-B2 Substituted spiroamine compounds GRUENENTHAL GMBH (DE) 2012-10-02 US claimed
US-8278319-B2 Substituted spiroamine compounds GRUENENTHAL GMBH (DE) 2012-10-02 US disclosed
US-20100113417-A1 Substituted Spiroamine Compounds GRUENENTHAL GMBH (DE) 2010-05-06 US disclosed
US-20100113417-A1 Substituted Spiroamine Compounds GRUENENTHAL GMBH (DE) 2010-05-06 US disclosed
US-20100113417-A1 Substituted Spiroamine Compounds GRUENENTHAL GMBH (DE) 2010-05-06 US disclosed
WO-2010049146-A1 SUBSTITUTED SPIROAMINES Grünenthal GmbH (DE) 2010-05-06 WO 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-20100113417-A1 Substituted Spiroamine Compounds BDKRB1, BDKRB2, REN BDKRB1 1/4885HSD17B10 3502/4885TSHR 477/4885

“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.