SCHEMBL4945840

SCHEMBL4945840

NC(=O)c1cc(C(F)(F)F)ccc1C[CH]C(=O)Nc1cnc2ccc(F)cc2c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.39
CNR1 P21554 2/20 0.39
MTOR P42345 2/20 0.39
JAK2 O60674 3/20 0.38
JAK3 P52333 2/20 0.37
SYK P43405 2/20 0.37
JAK1 P23458 2/20 0.37
TRPV1 Q8NER1 1/20 0.36
SORT1 Q99523 1/20 0.35
LRRK2 Q5S007 2/20 0.35
CSF1R P07333 1/20 0.35
SRPK3 Q9UPE1 1/20 0.35
MCHR1 Q99705 1/20 0.35

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
SCHEMBL4950433 0.90 CNR1 (0.50) CNR2CNR1MTORTRPV1
SCHEMBL5184303 0.83 RAB9A (0.47) CNR2CNR1TRPV1
SCHEMBL4949376 0.83 NPC1 (0.46) SYKTRPV1
SCHEMBL4949892 0.80 CNR1 (0.49) CNR2CNR1MTORTRPV1
SCHEMBL4952020 0.79 CNR1 (0.41) CNR2CNR1MTORSYKTRPV1
SCHEMBL5185045 0.78 NPC1 (0.49) SYK
SCHEMBL4950199 0.76 KDR (0.39) CNR2CNR1JAK2JAK1TRPV1
SCHEMBL5183675 0.74 NPSR1 (0.51)
SCHEMBL5185017 0.74 RAB9A (0.46) CNR2CNR1TRPV1
SCHEMBL5185512 0.71 CNR2 (0.43) CNR2CNR1MTORTRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080076741-A1 ENHANCEMENT OF TIGECYCLINE POTENCY USING EFFLUX PUMP INHIBITORS REMPEX PHARMACEUTICALS, INC. 2008-03-27 US disclosed
EP-1758920-A1 BACTERIAL EFFLUX PUMP INHIBITORS AND METHODS OF TREATING BACTERIAL INFECTIONS MPEX PHARMACEUTICALS, INC. (US) 2007-03-07 EP disclosed
US-20060003944-A1 Bacterial efflux pump inhibitors and methods of treating bacterial infections REMPEX PHARMACEUTICALS, INC. 2006-01-05 US disclosed
WO-2005113579-A1 BACTERIAL EFFLUX PUMP INHIBITORS AND METHODS OF TREATING BACTERIAL INFECTIONS MPEX PHARMACEUTICALS, INC. (US) 2005-12-01 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-20080076741-A1 ENHANCEMENT OF TIGECYCLINE POTENCY USING EFFLUX PUMP INHIBITORS ABCB1, ABCB11, SLC47A2 CNR2 4711/4885CNR1 4488/4885MTOR 1712/4885
US-20060003944-A1 Bacterial efflux pump inhibitors and methods of treating bacterial infections ABCB11, ABCB1, ABCC1 CNR2 4069/4885CNR1 3772/4885MTOR 1024/4885

“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.