SCHEMBL484968

SCHEMBL484968

O=C(N[C@@H]1CCc2ccc(C(=O)N3CCCC4(CCN(c5ccncc5)CC4)C3)cc21)c1ccccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 17/20 0.48
TSHR P16473 5/20 0.48
USP2 O75604 5/20 0.48
ALDH1A1 P00352 4/20 0.48
CYP2C19 P33261 9/20 0.47
CYP2C9 P11712 9/20 0.44
CYP1A2 P05177 8/20 0.44
CYP2D6 P10635 7/20 0.44
HIF1A Q16665 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
BDKRB1 P46663 1/20 0.41

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
SCHEMBL2817336 0.96 CYP3A4 (0.54) CYP3A4TSHRUSP2ALDH1A1CYP2C19
SCHEMBL2817400 0.96 BDKRB1 (0.45) CYP3A4TSHRUSP2ALDH1A1CYP2C19
SCHEMBL484199 0.96 BDKRB1 (0.45) CYP3A4TSHRUSP2ALDH1A1CYP2C19
SCHEMBL2815777 0.96 BDKRB1 (0.45) CYP3A4TSHRUSP2ALDH1A1CYP2C19
SCHEMBL2817823 0.95 BDKRB1 (0.47) CYP3A4TSHRUSP2ALDH1A1CYP2C19
SCHEMBL2820974 0.94 CYP3A4 (0.50) CYP3A4TSHRUSP2ALDH1A1CYP2C19
SCHEMBL2816144 0.94 BDKRB1 (0.43) CYP3A4TSHRUSP2ALDH1A1CYP2C19
SCHEMBL2817698 0.93 CYP3A4 (0.49) CYP3A4TSHRUSP2ALDH1A1CYP2C19
SCHEMBL2817192 0.93 ALDH1A1 (0.49) CYP3A4TSHRUSP2ALDH1A1CYP2C19
SCHEMBL2816543 0.93 ALDH1A1 (0.49) CYP3A4TSHRUSP2ALDH1A1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US claimed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US claimed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US claimed
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US disclosed
EP-2411381-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-02-01 EP disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US disclosed
WO-2010108651-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2010-09-30 WO disclosed
WO-2010108651-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2010-09-30 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 (2 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-20130231327-A1 Substituted Spiro-Amide Compounds BDKRB1, BDKRB2, REN CYP3A4 3781/4885TSHR 338/4885USP2 4864/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN CYP3A4 3781/4885TSHR 338/4885USP2 4864/4885

“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.