SCHEMBL404206

SCHEMBL404206

CCc1ccc(-c2ccc(C(=O)NCCN(O)C(=O)N3CCCC3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 5/20 0.46
CHRM1 P11229 2/20 0.46
HTR2A P28223 2/20 0.46
CYP2D6 P10635 1/20 0.46
OPRK1 P41145 7/20 0.43
NPC1 O15118 2/20 0.42
TAOK1 Q7L7X3 1/20 0.42
TAOK3 Q9H2K8 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
CHRM4 P08173 1/20 0.41
OPRM1 P35372 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL404346 0.91 HDAC6 (0.44) MCHR1CHRM1HTR2AOPRK1TAOK1
SCHEMBL403500 0.90 CD274 (0.48) KMT2A
SCHEMBL1095512 0.89 MCHR1 (0.52) MCHR1CYP2D6CHRM4
SCHEMBL405132 0.88 CHRM4 (0.43) MCHR1CHRM1HTR2ACYP2D6OPRK1
SCHEMBL1105547 0.86 SMN1; SMN2 (0.45) MCHR1CYP2D6OPRK1NPC1KMT2A
SCHEMBL404973 0.86 LMNA (0.44) MCHR1CYP2D6OPRK1NPC1TAOK1
SCHEMBL404709 0.84 MCHR1 (0.54) MCHR1CYP2D6OPRK1KMT2ACHRM4
SCHEMBL402467 0.80 ALDH1A1 (0.48) MCHR1OPRK1TAOK1TAOK3OPRM1
SCHEMBL4538278 0.79 CHRM4 (0.45) MCHR1CYP2D6OPRK1KMT2ACHRM4
SCHEMBL404847 0.79 MCHR1 (0.44) MCHR1CHRM1HTR2ACYP2D6KMT2A

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 MCHR1 4181/4885CHRM1 4643/4885HTR2A 4703/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS MCHR1 4181/4885CHRM1 4643/4885HTR2A 4703/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS MCHR1 4181/4885CHRM1 4643/4885HTR2A 4703/4885

“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.