SCHEMBL5018224

SCHEMBL5018224

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.46
CNR2 P34972 2/20 0.46
BDKRB2 P30411 1/20 0.43
SCN9A Q15858 1/20 0.42
ACP1 P24666 1/20 0.41
ADCY6 O43306 1/20 0.40
ADCY3 O60266 1/20 0.40
ADCY9 O60503 1/20 0.40
ADCY5 O95622 1/20 0.40
ADCY8 P40145 1/20 0.40
GCGR P47871 1/20 0.40
ADCY7 P51828 1/20 0.40
ADCY2 Q08462 1/20 0.40
ADCY1 Q08828 1/20 0.40
ADCY4 Q8NFM4 1/20 0.40
MCHR1 Q99705 2/20 0.40
HDAC4 P56524 4/20 0.38
HDAC1 Q13547 3/20 0.38
HDAC3 O15379 2/20 0.38
HDAC7 Q8WUI4 2/20 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
SCHEMBL5018115 1.00 CNR1 (0.46) CNR1CNR2BDKRB2SCN9AACP1
SCHEMBL5018281 0.94 CNR1 (0.44) CNR1CNR2BDKRB2SCN9AACP1
SCHEMBL5018492 0.91 CNR1 (0.44) CNR1CNR2BDKRB2SCN9AACP1
SCHEMBL5025831 0.90 CNR1 (0.44) CNR1CNR2BDKRB2SCN9AACP1
SCHEMBL13991971 0.88 CNR1 (0.42) CNR1CNR2BDKRB2SCN9AACP1
SCHEMBL5018407 0.88 BDKRB2 (0.44) CNR1CNR2BDKRB2SCN9AADCY6
SCHEMBL5018226 0.87 CNR1 (0.41) CNR1CNR2BDKRB2SCN9AACP1
SCHEMBL5018225 0.87 BDKRB2 (0.43) CNR1CNR2BDKRB2SCN9AACP1
SCHEMBL5018144 0.87 BDKRB2 (0.43) CNR1CNR2BDKRB2SCN9AADCY6
SCHEMBL12341120 0.87 BDKRB2 (0.43) CNR1CNR2BDKRB2SCN9AACP1

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 6 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-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 CNR1 4625/4885CNR2 4734/4885BDKRB2 3317/4885
US-20080318957-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCB1, SLC47A1 CNR1 4625/4885CNR2 4734/4885BDKRB2 3317/4885

“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.