SCHEMBL6630997

SCHEMBL6630997

CC(C)(C)OC(=O)N1CCNCC1c1ccc(C(F)(F)F)c(Cl)c1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 9/20 0.39
HTR2A P28223 8/20 0.39
HTR2B P41595 7/20 0.39
TACR1 P25103 9/20 0.37
EPAS1 Q99814 2/20 0.36
VEGFA P15692 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
SCHEMBL31437077 0.78 ALDH1A1 (0.43) TACR1
SCHEMBL1769797 0.75 TACR1 (0.43) HTR2CHTR2AHTR2BTACR1
SCHEMBL5188507 0.75 MAPT (0.38) TACR1
SCHEMBL31257816 0.74 ALDH1A1 (0.42) HTR2CHTR2AHTR2B
SCHEMBL30165832 0.74 ALDH1A1 (0.50)
SCHEMBL28052467 0.73 TACR1 (0.40) HTR2CHTR2AHTR2BTACR1
SCHEMBL30502301 0.72 HTR2C (0.44) HTR2CHTR2AHTR2BTACR1
SCHEMBL30968426 0.72 TACR1 (0.33) HTR2CHTR2AHTR2BTACR1
SCHEMBL31437059 0.72 PARP1 (0.38) TACR1
SCHEMBL13647340 0.72 TACR1 (0.59) HTR2CHTR2AHTR2BTACR1

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
EP-1389194-A2 INHIBITORS OF BACE VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-02-18 EP disclosed
US-20030095958-A1 Inhibitors of bace VERTEX PHARMACEUTICALS INCORPORATED 2003-05-22 US disclosed
WO-2002088101-A2 INHIBITORS OF BACE VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-11-07 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-20030095958-A1 Inhibitors of bace BACE2, BACE1, APP HTR2C 4733/4885HTR2A 4389/4885HTR2B 3808/4885

“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.