SCHEMBL4945104

SCHEMBL4945104

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.53
ACP1 P24666 1/20 0.52
TRPV1 Q8NER1 6/20 0.50
CNR1 P21554 1/20 0.50
CNR2 P34972 1/20 0.50
KDR P35968 1/20 0.50
RAB9A P51151 4/20 0.49
POLB P06746 2/20 0.49
LMNA P02545 1/20 0.49
TSHR P16473 1/20 0.49
HSD17B10 Q99714 1/20 0.49
KDM4E B2RXH2 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
NPC1 O15118 3/20 0.48
HDAC3 O15379 2/20 0.48
HDAC4 P56524 2/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC7 Q8WUI4 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC10 Q969S8 2/20 0.48

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
SCHEMBL4949524 0.92 SCN9A (0.62) SCN9AACP1TRPV1KDRRAB9A
SCHEMBL4950439 0.89 CNR1 (0.54) SCN9AACP1TRPV1CNR1CNR2
SCHEMBL2747835 0.89 CNR1 (0.54) SCN9AACP1TRPV1CNR1CNR2
SCHEMBL4950354 0.89 TRPV1 (0.54) SCN9AACP1TRPV1CNR1CNR2
SCHEMBL4945851 0.89 TRPV1 (0.54) SCN9AACP1TRPV1CNR1CNR2
SCHEMBL12890811 0.89 ACP1 (0.50) SCN9AACP1TRPV1KDRRAB9A
SCHEMBL4947376 0.89 ACP1 (0.50) SCN9AACP1TRPV1KDRRAB9A
SCHEMBL4949438 0.86 NPC1 (0.54) RAB9APOLBTSHRHSD17B10NPC1
SCHEMBL18830469 0.86 SCN9A (0.49) SCN9AACP1TRPV1KDRRAB9A
SCHEMBL1244196 0.82 BDKRB2 (0.48) SCN9AACP1TRPV1CNR1CNR2

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 2 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
US-20060003944-A1 Bacterial efflux pump inhibitors and methods of treating bacterial infections REMPEX PHARMACEUTICALS, INC. 2006-01-05 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 (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 SCN9A 3393/4885ACP1 2485/4885TRPV1 3093/4885
US-20060003944-A1 Bacterial efflux pump inhibitors and methods of treating bacterial infections ABCB11, ABCB1, ABCC1 SCN9A 2492/4885ACP1 4758/4885TRPV1 2189/4885

“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.