SCHEMBL3099403

SCHEMBL3099403

O=C(c1cccc2c1CN(S(=O)(=O)c1cccc(Cl)c1Cl)CC2)N1CCC2(CC1)CCN(c1ccncc1)CC2

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 4/20 0.52
BDKRB1 P46663 1/20 0.50
CYP3A4 P08684 7/20 0.45
CYP2C9 P11712 7/20 0.43
CYP2C19 P33261 4/20 0.43
CYP2D6 P10635 6/20 0.43
CYP1A2 P05177 5/20 0.43
TSHR P16473 3/20 0.43
HIF1A Q16665 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HTR6 P50406 1/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
LMNA P02545 1/20 0.42
USP2 O75604 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
SCHEMBL3091181 0.87 BDKRB1 (0.47) BDKRB1CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL3102831 0.80 CYP2D6 (0.50) BDKRB1CYP3A4CYP2C9CYP2C19CYP2D6
Hydrochloric Acid SCHEMBL3088615 0.79 CYP2D6 (0.49) BDKRB1CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL3103013 0.79 CYP3A4 (0.56) BDKRB1CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL15088283 0.79 CYP3A4 (0.56) BDKRB1CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL3095109 0.77 AKR1C3 (0.57) CHRM1TSHRHTR6SMN1; SMN2LMNA
SCHEMBL3088217 0.77 BDKRB1 (0.54) CHRM1BDKRB1CYP3A4CYP2C9CYP2C19
SCHEMBL3099693 0.76 CYP3A4 (0.48) BDKRB1CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL3102449 0.75 CYP3A4 (0.49) BDKRB1CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL3088775 0.73 CYP3A4 (0.56) BDKRB1CYP3A4CYP2C9CYP2C19CYP2D6

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 9 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-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 CHRM1 648/4885BDKRB1 1/4885CYP3A4 1215/4885

“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.