SCHEMBL5428847

SCHEMBL5428847

CC1(C(=O)O)C2CCC1CC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.42
NFKB1 P19838 2/20 0.42
CYP2C19 P33261 2/20 0.42
THPO P40225 2/20 0.42
LMNA P02545 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
TP53 P04637 1/20 0.42
STAT6 P42226 1/20 0.42
HIF1A Q16665 1/20 0.42
NPC1 O15118 1/20 0.42
GMNN O75496 1/20 0.42
MTOR P42345 1/20 0.42
RAB9A P51151 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
FFAR3 O14843 1/20 0.41
APLNR P35414 1/20 0.36
CHRNB2 P17787 4/20 0.33
CHRNB4 P30926 4/20 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
SCHEMBL19475140 0.79 MAPK1 (0.33) MAPK1NFKB1CYP2C19THPOLMNA
SCHEMBL5712636 0.76 HSD11B1 (0.40) MAPK1NFKB1CYP2C19THPOLMNA
SCHEMBL5940727 0.74 CHRNB2 (0.32) MAPK1NFKB1CYP2C19THPOLMNA
SCHEMBL11053373 0.73 MAPK1 (0.32) MAPK1NFKB1CYP2C19THPOLMNA
SCHEMBL2533774 0.72 SLC1A2 (0.41) MAPK1NFKB1CYP2C19THPOLMNA
SCHEMBL14703984 0.71
SCHEMBL9312391 0.70 LMNA (0.38) MAPK1NFKB1CYP2C19THPOLMNA
SCHEMBL9310206 0.70 LMNA (0.38) MAPK1NFKB1CYP2C19THPOLMNA
SCHEMBL28851886 0.70 LMNA (0.38) MAPK1NFKB1CYP2C19THPOLMNA
SCHEMBL206269 0.69 CYP2C19 (0.35) MAPK1NFKB1CYP2C19THPOLMNA

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
US-20070135445-A1 Bicyclic Indolyl Derivatives and Methods for Their Use as Serotonergic Agents WYETH (US) 2007-06-14 US disclosed
US-7179813-B2 Bicyclic indolyl derivatives and methods for their use as serotonergic agents WYETH (US) 2007-02-20 US disclosed
US-20060247303-A1 7H-dibenzo[b,g][1,5]dioxocin-5-one derivatives and use thereof BAYER HEALTHCARE AG (DE) 2006-11-02 US disclosed
EP-1644355-A1 BICYCLIC INDOLYL DERIVATIVES AND METHODS OF THEIR USE AS SEROTONERGIC AGENTS Wyeth (US) 2006-04-12 EP disclosed
EP-1560630-A2 7H-DIBENZO[B,G][1,5]DIOXOCIN-5-ONE DERIVATIVES AND USE THEREOF Bayer HealthCare AG (DE) 2005-08-10 EP disclosed
US-20050124630-A1 Bicyclic indolyl derivatives and methods for their use as serotonergic agents WYETH (US) 2005-06-09 US disclosed
WO-2004111035-A1 BICYCLIC INDOLYL DERIVATIVES AND METHODS OF THEIR USE AS SEROTONERGIC AGENTS WYETH (US) 2004-12-23 WO disclosed
WO-2004039453-A2 7H-DIBENZO[B,G][1,5]DIOXOCIN-5-ONE DERIVATIVES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2004-05-13 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 (3 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-20070135445-A1 Bicyclic Indolyl Derivatives and Methods for Their Use as Serotonergic Agents HTR4, HTR3A, TPH1 MAPK1 4193/4885NFKB1 3728/4885CYP2C19 330/4885
US-20050124630-A1 Bicyclic indolyl derivatives and methods for their use as serotonergic agents HTR4, HTR3A, TPH1 MAPK1 4193/4885NFKB1 3728/4885CYP2C19 330/4885
US-20060247303-A1 7H-dibenzo[b,g][1,5]dioxocin-5-one derivatives and use thereof CETP, APOB, MTTP MAPK1 3759/4885NFKB1 1291/4885CYP2C19 3602/4885

“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.