SCHEMBL5018280

SCHEMBL5018280

C[C@@H](N)C(=O)N[C@@H](CC(=O)N(CCN)CCN)C(=O)N[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1cnc2ccccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADCY6 O43306 1/20 0.42
ADCY3 O60266 1/20 0.42
ADCY9 O60503 1/20 0.42
ADCY5 O95622 1/20 0.42
ADCY8 P40145 1/20 0.42
GCGR P47871 1/20 0.42
ADCY7 P51828 1/20 0.42
ADCY2 Q08462 1/20 0.42
ADCY1 Q08828 1/20 0.42
ADCY4 Q8NFM4 1/20 0.42
CNR1 P21554 2/20 0.42
CNR2 P34972 2/20 0.42
SCN9A Q15858 1/20 0.41
MCHR1 Q99705 2/20 0.40
BDKRB2 P30411 1/20 0.40
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
CTNNB1 P35222 1/20 0.39
TRPV1 Q8NER1 7/20 0.39

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
SCHEMBL5018284 0.92 BDKRB2 (0.41) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL5018144 0.91 BDKRB2 (0.43) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL5018157 0.91 BDKRB2 (0.43) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL5018488 0.91 BDKRB2 (0.43) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL13365594 0.91 ADCY6 (0.42) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL5018964 0.90 SCN9A (0.39) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL5026047 0.88 MCHR1 (0.45) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL5018473 0.88 MCHR1 (0.45) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL5018575 0.88 SCN9A (0.40) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL5018101 0.87 MCHR1 (0.44) ADCY6ADCY3ADCY9ADCY5ADCY8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178490-B2 Polybasic bacterial efflux pump inhibitors and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2012-05-15 US disclosed
US-8178490-B2 Polybasic bacterial efflux pump inhibitors and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2012-05-15 US disclosed
US-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2010-06-17 US disclosed
US-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2010-06-17 US disclosed
WO-2010054102-A2 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2010-05-14 WO disclosed
US-20080318957-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2008-12-25 US disclosed
US-20080318957-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2008-12-25 US disclosed
WO-2008141010-A2 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2008-11-20 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 (2 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-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCB1, SLC47A1 ADCY6 4171/4885ADCY3 4687/4885ADCY9 3797/4885
US-20080318957-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCB1, SLC47A1 ADCY6 4171/4885ADCY3 4687/4885ADCY9 3797/4885

“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.