SCHEMBL405132

SCHEMBL405132

CCc1ccc(-c2ccc(C(=O)NCCN(O)C(=O)N3CCCC(O)C3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 3/20 0.43
HRH3 Q9Y5N1 1/20 0.42
MCHR1 Q99705 6/20 0.42
CYP2D6 P10635 4/20 0.42
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
OPRK1 P41145 4/20 0.38
CHRM1 P11229 1/20 0.38
HTR2A P28223 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL404206 0.88 MCHR1 (0.46) CHRM4MCHR1CYP2D6KMT2AOPRK1
SCHEMBL404709 0.85 MCHR1 (0.54) CHRM4HRH3MCHR1CYP2D6MEN1
SCHEMBL1095512 0.82 MCHR1 (0.52) CHRM4HRH3MCHR1CYP2D6ALDH1A1
SCHEMBL404346 0.81 HDAC6 (0.44) CHRM4MCHR1KMT2AOPRK1CHRM1
SCHEMBL1105547 0.81 SMN1; SMN2 (0.45) CHRM4HRH3MCHR1CYP2D6ALDH1A1
SCHEMBL403500 0.81 CD274 (0.48) ALDH1A1MEN1KMT2AKDM4E
SCHEMBL4538278 0.80 CHRM4 (0.45) CHRM4MCHR1CYP2D6MEN1KMT2A
SCHEMBL404847 0.80 MCHR1 (0.44) CHRM4MCHR1CYP2D6MEN1KMT2A
SCHEMBL404085 0.78 HDAC4 (0.44) MCHR1CYP2D6MEN1KMT2ADRD2
SCHEMBL14224433 0.78 ALDH1A1 (0.49) CHRM4HRH3MCHR1CYP2D6ALDH1A1

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 34 patents — showing the first 20. 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-8153843-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2012-04-10 US disclosed
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-8101640-B2 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-01-24 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-8084615-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2011-12-27 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-20080269221-A1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-10-30 US disclosed
US-20080269221-A1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-10-30 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-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 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
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 US disclosed
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 US disclosed
US-20060154988-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2006-07-13 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 (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-20070244197-A1 Antibacterial agents MRPL21, SI, PGLS CHRM4 4821/4885HRH3 4195/4885MCHR1 4181/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS CHRM4 4821/4885HRH3 4195/4885MCHR1 4181/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS CHRM4 4821/4885HRH3 4195/4885MCHR1 4181/4885

“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.