SCHEMBL4889066

SCHEMBL4889066

CN1CCN(c2cccc3nc(CNC(=O)O)n(C)c23)CC1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 7/20 0.44
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL5549018 0.76 NCF1 (0.39) HTR7HTR1ADRD2HTR2AHTR2C
SCHEMBL22333200 0.74 ALDH1A1 (0.43) HTR1ADRD2HTR2AHTR2CMAPT
SCHEMBL22333183 0.73 HRH4 (0.42) HTR1ADRD2HTR2AHTR2CMAPT
SCHEMBL2937868 0.72 MAPT (0.72) MAPTMEN1KMT2A
SCHEMBL4882642 0.71 HTR6 (0.68)
SCHEMBL4178891 0.70 CKS1B (0.43) MAPT
SCHEMBL4885947 0.70 HTR1A (0.38) HTR1ADRD2HTR2AHTR2CMAPT
SCHEMBL22333361 0.67 ELANE (0.38) HTR1AHTR2AHTR2CMEN1KMT2A
SCHEMBL5549046 0.67 KDM4E (0.35) HTR7HTR1ADRD2MAPTKMT2A
SCHEMBL7970926 0.67 DHODH (0.46) MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080045537-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-02-21 US disclosed
EP-1789045-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-05-30 EP disclosed
WO-2006023400-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-03-02 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-20080045537-A1 Chemical Compounds CCR5, CXCR4, CXCR3 HTR7 2777/4885HTR1A 3730/4885DRD2 894/4885

“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.