SCHEMBL485258

SCHEMBL485258

CC[C@@]1(C)N[C@H](c2ccccc2)COC1=O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
ADORA3 P0DMS8 1/20 0.35
KDM1A O60341 6/20 0.34
MAOA P21397 6/20 0.34
MAOB P27338 6/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HTR7 P34969 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
BRD4 O60885 1/20 0.33
BRDT Q58F21 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL19940946 0.89 KDM1A (0.37) LMNAADORA3KDM1AMAOAMAOB
SCHEMBL18109699 0.86 SLC10A2 (0.38) LMNAKDM1AMAOAMAOBMEN1
SCHEMBL4336144 0.85 LMNA (0.34) LMNAADORA3SMN1; SMN2HTR7MEN1
SCHEMBL18109314 0.85 MMP2 (0.37) LMNAKDM1AMAOAMAOBSMN1; SMN2
SCHEMBL19991844 0.84 MMP2 (0.39) LMNAKDM1AMAOAMAOBSMN1; SMN2
SCHEMBL4339935 0.84 TDP1 (0.35) LMNAADORA3SMN1; SMN2HTR7MEN1
SCHEMBL5804792 0.84 TDP1 (0.35) LMNAADORA3SMN1; SMN2HTR7MEN1
SCHEMBL4341487 0.83 HTR7 (0.34) LMNAHTR7ALDH1A1
SCHEMBL4344060 0.83 OPRM1 (0.34) LMNASMN1; SMN2HTR7
SCHEMBL5808395 0.83 OPRM1 (0.34) LMNASMN1; SMN2HTR7

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8283479-B2 CXCR2 inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2012-10-09 US disclosed
EP-1836158-B1 FUSED BICYCLIC CARBOXAMIDE DERIVATIVES FOR USE AS CXCR2 INHIBITORS IN THE TREATMENT OF INFLAMMATION SANOFI AVENTIS DEUTSCHLAND (DE) 2012-02-01 EP disclosed
US-20110184177-A1 CXCR2 INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2011-07-28 US disclosed
US-7919628-B2 2-[(1-Benzyloxy-naphthalene-2-carbonyl)-amino]-2-methyl-propionic acid; inhibitors of chemokine receptors; treatment or prophylaxis of acute and chronic inflammatory diseases such as atherosclerosis, ischemic or reperfusion injuries, chronic obstructive pulmonary disease, asthma, rheumatoid arthritis SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2011-04-05 US disclosed
US-20080090854-A1 CXCR2 INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-04-17 US disclosed
EP-1836158-A1 FUSED BICYCLIC CARBOXAMIDE DERIVATIVES FOR USE AS CXCR2 INHIBITORS IN THE TREATMENT OF INFLAMMATION Sanofi-Aventis Deutschland GmbH (DE) 2007-09-26 EP disclosed
WO-2006069656-A1 FUSED BICYCLIC CARBOXAMIDE DERIVATIVES FOR USE AS CXCR2 INHIBITORS IN THE TREATMENT OF INFLAMMATION SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-07-06 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 (2 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-20110184177-A1 CXCR2 INHIBITORS CXCR2, CXCR1, CXCR4 LMNA 4616/4885ADORA3 112/4885KDM1A 3867/4885
US-20080090854-A1 CXCR2 INHIBITORS CXCR2, CXCR1, CXCR4 LMNA 4616/4885ADORA3 112/4885KDM1A 3867/4885

“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.