SCHEMBL3088692

SCHEMBL3088692

O=C(Nc1ccc(Cl)c(Cl)c1)N1CCc2onc(C(=O)N3CCC4(CC3)CCN(c3ccncc3)CC4)c2C1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR142 Q7Z601 4/20 0.47
EPHX2 P34913 1/20 0.45
CYP3A4 P08684 6/20 0.45
CYP2D6 P10635 5/20 0.44
CYP2C9 P11712 4/20 0.44
TSHR P16473 4/20 0.44
CYP2C19 P33261 3/20 0.44
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 1/20 0.44
TRPV1 Q8NER1 2/20 0.42
MAPT P10636 1/20 0.42
CYP1A2 P05177 3/20 0.42
HIF1A Q16665 3/20 0.41
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
Hydrochloric Acid SCHEMBL3092406 0.99 GPR142 (0.47) GPR142EPHX2CYP3A4CYP2D6CYP2C9
SCHEMBL3090853 0.81 CYP2C9 (0.48) CYP3A4CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL3088798 0.80 GPR142 (0.62) GPR142EPHX2CYP3A4CYP2D6CYP2C9
SCHEMBL3078123 0.80 MEN1 (0.50) GPR142EPHX2CYP3A4CYP2D6TSHR
SCHEMBL3084329 0.74 HSP90AA1 (0.61) GPR142ALDH1A1TRPV1MAPT
SCHEMBL3724670 0.72 MEN1 (0.47) GPR142EPHX2CYP3A4CYP2D6TSHR
SCHEMBL3102323 0.70 CYP3A4 (0.50) CYP3A4CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL484193 0.68 CYP3A4 (0.48) GPR142CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL25205398 0.67 MEN1 (0.56) GPR142EPHX2CYP3A4CYP2D6TSHR
SCHEMBL22616279 0.67 MAPT (0.41) GPR142EPHX2SMN1; SMN2MAPT

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-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
WO-2010089127-A1 SUBSTITUTED SPIRO-AMIDES AS B1R MODULATORS Grünenthal GmbH (DE) 2010-08-12 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 (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 GPR142 1136/4885EPHX2 2014/4885CYP3A4 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.