SCHEMBL1109129

SCHEMBL1109129

C[C@@H](O)[C@H](NC(=O)c1ccc(-c2ccc(NC(=O)CN[C@H]3CN4CCC3CC4)cc2)cc1)C(=O)NO

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL10287191 1.00 CHRNA7 (0.39) CHRNA7HTR3EHTR3BALOX15TSHR
SCHEMBL405028 0.92
SCHEMBL399665 0.92
SCHEMBL1109208 0.86 MEN1 (0.47) MEN1KMT2AALDH1A1
SCHEMBL1912158 0.84 MEN1 (0.54) MEN1KMT2AALDH1A1
SCHEMBL1109388 0.84 MEN1 (0.51) MEN1KMT2AALDH1A1
SCHEMBL14400825 0.84 HTT (0.42) MEN1KMT2AALDH1A1
SCHEMBL1109370 0.84 HTT (0.42) MEN1KMT2AALDH1A1
SCHEMBL12064330 0.84 HTT (0.42) MEN1KMT2AALDH1A1
SCHEMBL13659698 0.84 HTT (0.42) MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153843-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2012-04-10 US disclosed
US-8101640-B2 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-01-24 US disclosed
US-8084615-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2011-12-27 US disclosed
US-7989660-B2 BACTERICIDE AGAINST GRAMNEGATIVE BACTERIA; RESPIARATORY SYSTEM DISORDERS NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2011-08-02 US disclosed
US-20110172174-A1 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS INC. 2011-07-14 US disclosed
US-20100324025-A1 Antibacterial Agents UNIVERSITY OF WASHINGTON (US) 2010-12-23 US disclosed
US-20090247506-A1 Antibacterial agents CHIRON CORPORATION 2009-10-01 US disclosed
US-20090163496-A1 ANTIBACTERIAL AGENTS UNIVERSITY OF WASHINGTON (US) 2009-06-25 US disclosed
US-20080269221-A1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-10-30 US disclosed
US-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 US disclosed
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 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 (6 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-20070244197-A1 Antibacterial agents MRPL21, SI, PGLS CHRNA7 4872/4885HTR3E 4777/4885HTR3B 4450/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS CHRNA7 4872/4885HTR3E 4777/4885HTR3B 4450/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS CHRNA7 4872/4885HTR3E 4777/4885HTR3B 4450/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS CHRNA7 4872/4885HTR3E 4777/4885HTR3B 4450/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS CHRNA7 4872/4885HTR3E 4777/4885HTR3B 4450/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS CHRNA7 4872/4885HTR3E 4777/4885HTR3B 4450/4885

“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.