SCHEMBL3102908

SCHEMBL3102908

O=C(Cc1ccc2c(c1)N(S(=O)(=O)c1cccc3ccccc13)CCC2)N1CCC2(CC1)CCN(c1ccncc1)CC2

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
CYP2C9 P11712 7/20 0.41
CYP2D6 P10635 5/20 0.41
TSHR P16473 4/20 0.41
CYP3A4 P08684 4/20 0.41
ITGB3 P05106 6/20 0.40
ITGA2B P08514 6/20 0.40
P2RX7 Q99572 3/20 0.39
CHRM1 P11229 1/20 0.39
HIF1A Q16665 3/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP1A2 P05177 3/20 0.39
CYP2C19 P33261 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL3084270 0.95 ITGB3 (0.41) KMT2ACYP2C9CYP2D6TSHRCYP3A4
SCHEMBL3096227 0.93 CYP3A4 (0.41) KMT2ACYP2C9CYP2D6TSHRCYP3A4
SCHEMBL3102258 0.87 LMNA (0.46) KMT2ACYP2C9CYP2D6TSHRCYP3A4
SCHEMBL3091954 0.84 HTR6 (0.39) KMT2AALDH1A1SMN1; SMN2MAPK1
SCHEMBL3095912 0.83 LMNA (0.43) KMT2ACYP2C9CYP2D6TSHRCYP3A4
SCHEMBL13151422 0.82 CYP2C9 (0.41) CYP2C9CYP2D6TSHRCYP3A4ITGB3
SCHEMBL3084269 0.80 CYP2D6 (0.47) CYP2C9CYP2D6TSHRCYP3A4ITGB3
SCHEMBL3103034 0.79 CYP2D6 (0.39) CYP2C9CYP2D6TSHRCYP3A4ITGB3
SCHEMBL3091882 0.79 CYP2D6 (0.41) CYP2C9CYP2D6TSHRCYP3A4ITGB3
SCHEMBL3084305 0.78 CPT1A (0.49) KMT2ACYP2C9CYP2D6CYP3A4ALDH1A1

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-8357717-B2 Spiro group-containing amide compounds having bradykinin 1 receptor (B1R) activity GRUENENTHAL GMBH (DE) 2013-01-22 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 KMT2A 2897/4885CYP2C9 351/4885CYP2D6 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.