SCHEMBL3102258

SCHEMBL3102258

O=C(Cc1ccc2c(c1)N(S(=O)(=O)c1ccccc1C(F)(F)F)CCC2)N1CCC2(CC1)CCN(c1ccncc1)CC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
PKM P14618 1/20 0.46
CYP2D6 P10635 6/20 0.42
TSHR P16473 5/20 0.42
CYP3A4 P08684 5/20 0.42
HIF1A Q16665 4/20 0.42
CYP1A2 P05177 4/20 0.42
CYP2C9 P11712 7/20 0.40
ITGB3 P05106 6/20 0.40
ITGA2B P08514 6/20 0.40
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP2C19 P33261 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MAPK1 P28482 1/20 0.38
TACR1 P25103 1/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL3095912 0.96 LMNA (0.43) LMNAPKMCYP2D6TSHRCYP3A4
SCHEMBL3102908 0.87 KMT2A (0.41) CYP2D6TSHRCYP3A4HIF1ACYP1A2
SCHEMBL3084270 0.83 ITGB3 (0.41) CYP2D6TSHRCYP3A4HIF1ACYP1A2
SCHEMBL3103034 0.83 CYP2D6 (0.39) CYP2D6TSHRCYP3A4HIF1ACYP1A2
SCHEMBL3096227 0.81 CYP3A4 (0.41) CYP2D6TSHRCYP3A4HIF1ACYP1A2
SCHEMBL13151422 0.80 CYP2C9 (0.41) CYP2D6TSHRCYP3A4HIF1ACYP1A2
SCHEMBL3084269 0.80 CYP2D6 (0.47) CYP2D6TSHRCYP3A4HIF1ACYP1A2
SCHEMBL3082913 0.79 CPT1A (0.49) LMNAPKMALDH1A1MEN1MAPT
SCHEMBL3091882 0.79 CYP2D6 (0.41) PKMCYP2D6TSHRCYP3A4HIF1A
SCHEMBL3096438 0.76 AVPR2 (0.44) CYP2D6TSHRCYP3A4HIF1ACYP1A2

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
EP-2393812-B1 SUBSTITUTED SPIROAMIDES AS B1R-MODULATORS GRUENENTHAL GMBH (DE) 2013-07-03 EP claimed
US-8357717-B2 Spiro group-containing amide compounds having bradykinin 1 receptor (B1R) activity GRUENENTHAL GMBH (DE) 2013-01-22 US claimed
US-20100234340-A1 Substituted Spiroamide Compounds GRUENENTHAL GMBH (DE) 2010-09-16 US claimed
EP-2393812-B1 SUBSTITUTED SPIROAMIDES AS B1R-MODULATORS GRUENENTHAL GMBH (DE) 2013-07-03 EP disclosed
US-8357717-B2 Spiro group-containing amide compounds having bradykinin 1 receptor (B1R) activity GRUENENTHAL GMBH (DE) 2013-01-22 US disclosed
US-8357717-B2 Spiro group-containing amide compounds having bradykinin 1 receptor (B1R) activity GRUENENTHAL GMBH (DE) 2013-01-22 US disclosed
US-8357717-B2 Spiro group-containing amide compounds having bradykinin 1 receptor (B1R) activity GRUENENTHAL GMBH (DE) 2013-01-22 US disclosed
US-20100234340-A1 Substituted Spiroamide Compounds GRUENENTHAL GMBH (DE) 2010-09-16 US disclosed
US-20100234340-A1 Substituted Spiroamide Compounds GRUENENTHAL GMBH (DE) 2010-09-16 US disclosed
US-20100234340-A1 Substituted Spiroamide Compounds GRUENENTHAL GMBH (DE) 2010-09-16 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-20100234340-A1 Substituted Spiroamide Compounds BDKRB1, BDKRB2, AVPR1B LMNA 553/4885PKM 1620/4885CYP2D6 950/4885

“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.