SCHEMBL4313299

SCHEMBL4313299

O=C(Nc1cccc2c1C(=O)N(CC(O)CN1CCN(c3ccc(F)cc3F)CC1)C2=O)c1ccc(Cl)s1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.43
DRD2 P14416 3/20 0.43
HTR7 P34969 3/20 0.43
ADRA1D P25100 5/20 0.41
ADRA1A P35348 5/20 0.41
ADRA1B P35368 1/20 0.41
F10 P00742 10/20 0.40
TP53 P04637 1/20 0.36

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
SCHEMBL4306062 0.92 HTR2A (0.42) HTR1ADRD2HTR7ADRA1DADRA1A
SCHEMBL4306503 0.89 F10 (0.42) HTR1ADRD2HTR7ADRA1DADRA1A
SCHEMBL4302294 0.85 MAPT (0.42) HTR1ADRD2HTR7ADRA1BF10
SCHEMBL5466430 0.85 HTR1A (0.47) HTR1ADRD2HTR7ADRA1DADRA1A
SCHEMBL4306493 0.84 F10 (0.43) HTR1ADRD2HTR7ADRA1DADRA1A
SCHEMBL4310791 0.84 DRD2 (0.41) HTR1ADRD2HTR7F10
SCHEMBL4307569 0.84 MAPT (0.43) DRD2HTR7ADRA1DADRA1AF10
SCHEMBL4309292 0.84 F10 (0.39) HTR1ADRD2HTR7F10
SCHEMBL4310904 0.83 L3MBTL1 (0.45) ADRA1DADRA1AADRA1BTP53
SCHEMBL4302265 0.83 F10 (0.44) HTR1ADRD2HTR7F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7482472-B2 Substituted isoindoles and their use BAYER HEALTHCARE AG (DE) 2009-01-27 US disclosed
US-20080039446-A1 Substituted isoindoles and their use BAYER HEALTHCARE AG (DE) 2008-02-14 US disclosed
US-7189738-B2 Substituted isoindoles and their use thereof BAYER HEALTHCARE AG (DE) 2007-03-13 US disclosed
EP-1414817-B1 substituted isoindoles and the use thereof BAYER HEALTHCARE AG (DE) 2005-04-06 EP disclosed
US-20040215019-A1 Substituted isoindoles and the e use thereof BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-10-28 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 (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-20080039446-A1 Substituted isoindoles and their use F2, F12, TFPI2 HTR1A 527/4885DRD2 1154/4885HTR7 191/4885
US-20040215019-A1 Substituted isoindoles and the e use thereof F2, F12, F5 HTR1A 580/4885DRD2 1163/4885HTR7 499/4885

“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.