SCHEMBL3313124

SCHEMBL3313124

CN(C)C1(c2cccs2)CCC2(CCN(C(=O)CC(NS(=O)(=O)c3ccc4ccccc4c3)c3ccccc3)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 16/20 0.44
BDKRB2 P30411 5/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL3311108 0.89 BDKRB1 (0.47) BDKRB1BDKRB2MEN1KMT2ARAB9A
SCHEMBL13362243 0.85 OPRM1 (0.38) ALDH1A1LMNAGAAPKMSMN1; SMN2
SCHEMBL3407476 0.78 BDKRB1 (0.52) BDKRB1BDKRB2MEN1KMT2ARAB9A
SCHEMBL3410238 0.76 BDKRB1 (0.47) BDKRB1BDKRB2MEN1KMT2ARAB9A
SCHEMBL3318290 0.76 BDKRB1 (0.46) BDKRB1BDKRB2MEN1KMT2ARAB9A
SCHEMBL4374587 0.75 BDKRB1 (0.47) BDKRB1BDKRB2MEN1KMT2ARAB9A
SCHEMBL3409680 0.75 BDKRB1 (0.48) BDKRB1BDKRB2MEN1KMT2ARAB9A
SCHEMBL3404305 0.74 RAB9A (0.50) BDKRB1BDKRB2MEN1KMT2ARAB9A
SCHEMBL701175 0.74 KMT2A (0.43) BDKRB1BDKRB2MEN1KMT2ARAB9A
SCHEMBL3408526 0.73 BDKRB1 (0.49) BDKRB1BDKRB2MEN1KMT2ARAB9A

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 1/4885BDKRB2 2/4885MEN1 346/4885

“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.