SCHEMBL4945842

SCHEMBL4945842

N[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1cnc2ccc(F)cc2c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
TPH1 P17752 2/20 0.41
ROCK2 O75116 2/20 0.41
GPR142 Q7Z601 1/20 0.41
MCHR1 Q99705 2/20 0.41
AKT1 P31749 1/20 0.41
SCN9A Q15858 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

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
SCHEMBL12343971 0.90 MCHR1 (0.44) CNR1CNR2ROCK2MCHR1
SCHEMBL4950439 0.88 CNR1 (0.54) CNR1CNR2AKT1SCN9AADCY6
SCHEMBL2747835 0.88 CNR1 (0.54) CNR1CNR2AKT1SCN9AADCY6
SCHEMBL1246090 0.85 BDKRB2 (0.38) CNR1CNR2ROCK2MCHR1SCN9A
SCHEMBL1244275 0.84 MCHR1 (0.37) CNR1CNR2ROCK2MCHR1SCN9A
SCHEMBL4945104 0.81 SCN9A (0.53) CNR1CNR2SCN9AADCY6ADCY3
SCHEMBL4949380 0.81 NPC1 (0.51) ROCK2MCHR1
SCHEMBL5185512 0.81 CNR2 (0.43) CNR1CNR2ROCK2ADCY6ADCY3
SCHEMBL4949897 0.78 TRPV1 (0.53) CNR1CNR2MCHR1SCN9AADCY6
SCHEMBL4952022 0.78 ROCK2 (0.44) CNR1CNR2ROCK2MCHR1SCN9A

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 CNR1 4488/4885CNR2 4711/4885TPH1 3221/4885
US-20060003944-A1 Bacterial efflux pump inhibitors and methods of treating bacterial infections ABCB11, ABCB1, ABCC1 CNR1 3772/4885CNR2 4069/4885TPH1 4582/4885

“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.