SCHEMBL3099693

SCHEMBL3099693

O=C(c1ccc(Cl)s1)N1CCc2cccc(C(=O)N3CCC4(CC3)CCN(c3ccncc3)CC4)c2C1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 9/20 0.48
MAPT P10636 1/20 0.47
BDKRB1 P46663 1/20 0.47
CYP2C9 P11712 10/20 0.46
CYP2C19 P33261 7/20 0.46
CYP2D6 P10635 9/20 0.46
CYP1A2 P05177 7/20 0.46
TSHR P16473 6/20 0.46
ALDH1A1 P00352 6/20 0.46
HIF1A Q16665 5/20 0.46
SMN1; SMN2 Q16637 7/20 0.45
USP2 O75604 2/20 0.43
MAPK1 P28482 3/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 2/20 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
SCHEMBL3103013 0.85 CYP3A4 (0.56) CYP3A4BDKRB1CYP2C9CYP2C19CYP2D6
SCHEMBL3096314 0.81 CYP3A4 (0.54) CYP3A4MAPTBDKRB1CYP2C9CYP2C19
SCHEMBL15088283 0.81 CYP3A4 (0.56) CYP3A4BDKRB1CYP2C9CYP2C19CYP2D6
SCHEMBL3102449 0.80 CYP3A4 (0.49) CYP3A4BDKRB1CYP2C9CYP2C19CYP2D6
SCHEMBL3082921 0.77 BDKRB1 (0.48) CYP3A4BDKRB1CYP2C9CYP2C19CYP2D6
SCHEMBL3096509 0.76 CYP3A4 (0.57) CYP3A4MAPTBDKRB1CYP2C9CYP2C19
SCHEMBL3099403 0.76 CHRM1 (0.52) CYP3A4BDKRB1CYP2C9CYP2C19CYP2D6
SCHEMBL3088775 0.76 CYP3A4 (0.56) CYP3A4BDKRB1CYP2C9CYP2C19CYP2D6
SCHEMBL3091181 0.75 BDKRB1 (0.47) CYP3A4BDKRB1CYP2C9CYP2C19CYP2D6
Hydrochloric Acid SCHEMBL3099060 0.75 CYP3A4 (0.55) CYP3A4BDKRB1CYP2C9CYP2C19CYP2D6

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 CYP3A4 1215/4885MAPT 3846/4885BDKRB1 1/4885

“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.