SCHEMBL3090853

SCHEMBL3090853

O=C(c1ccccc1Cl)N1CCc2onc(C(=O)N3CCC4(CC3)CCN(c3ccncc3)CC4)c2C1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 7/20 0.48
CYP2C19 P33261 4/20 0.48
CYP3A4 P08684 6/20 0.48
ALDH1A1 P00352 6/20 0.47
CYP2D6 P10635 6/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
TSHR P16473 4/20 0.47
HPGD P15428 1/20 0.47
CYP1A2 P05177 4/20 0.47
KMT2A Q03164 1/20 0.47
USP2 O75604 1/20 0.46
MAPT P10636 2/20 0.45
BDKRB1 P46663 1/20 0.45
TP53 P04637 1/20 0.44
HIF1A Q16665 2/20 0.43
MAPK1 P28482 1/20 0.43
LMNA P02545 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL3088692 0.81 GPR142 (0.47) CYP2C9CYP2C19CYP3A4ALDH1A1CYP2D6
Hydrochloric Acid SCHEMBL3092406 0.80 GPR142 (0.47) CYP2C9CYP2C19CYP3A4ALDH1A1CYP2D6
SCHEMBL3099503 0.79 LMNA (0.53) ALDH1A1HPGDKMT2ALMNANPC1
SCHEMBL3092307 0.78 BDKRB1 (0.56) CYP2C9CYP2C19CYP3A4ALDH1A1CYP2D6
SCHEMBL3082921 0.77 BDKRB1 (0.48) CYP2C9CYP2C19CYP3A4ALDH1A1CYP2D6
SCHEMBL3079134 0.73 HSP90AA1 (0.73) CYP2C9CYP2C19CYP3A4ALDH1A1CYP2D6
SCHEMBL3102323 0.73 CYP3A4 (0.50) CYP2C9CYP2C19CYP3A4ALDH1A1CYP2D6
SCHEMBL3099693 0.72 CYP3A4 (0.48) CYP2C9CYP2C19CYP3A4ALDH1A1CYP2D6
SCHEMBL3103013 0.72 CYP3A4 (0.56) CYP2C9CYP2C19CYP3A4ALDH1A1CYP2D6
SCHEMBL3087512 0.71 CYP3A4 (0.54) CYP2C9CYP2C19CYP3A4ALDH1A1CYP2D6

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 8 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
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 CYP2C9 351/4885CYP2C19 645/4885CYP3A4 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.