SCHEMBL4950201

SCHEMBL4950201

N[C@H](CCc1ccccc1)C(=O)Nc1cnc2ccc(F)cc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.46
ROCK1 Q13464 2/20 0.46
MAPT P10636 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
PKM P14618 1/20 0.44
KMT2A Q03164 1/20 0.44
ACP1 P24666 1/20 0.44
SCN9A Q15858 1/20 0.44
LNPEP Q9UIQ6 2/20 0.43
ERAP2 Q6P179 1/20 0.43
TRPV1 Q8NER1 2/20 0.43
PLA2G2A P14555 1/20 0.42
KDR P35968 1/20 0.42
LTA4H P09960 2/20 0.41
HDAC1 Q13547 3/20 0.41
HDAC2 Q92769 3/20 0.41

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
SCHEMBL1245420 0.89 RAB9A (0.56) ROCK2ROCK1MAPTRAB9ASMN1; SMN2
SCHEMBL1245421 0.89 RAB9A (0.56) ROCK2ROCK1MAPTRAB9ASMN1; SMN2
SCHEMBL4951758 0.89 RAB9A (0.56) ROCK2ROCK1MAPTRAB9ASMN1; SMN2
SCHEMBL4945851 0.88 TRPV1 (0.54) MAPTRAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL4950354 0.88 TRPV1 (0.54) MAPTRAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL4952022 0.88 ROCK2 (0.44) ROCK2ROCK1MAPTRAB9ASMN1; SMN2
SCHEMBL12343971 0.88 MCHR1 (0.44) ROCK2TRPV1
SCHEMBL1244199 0.86 LTA4H (0.41) MAPTRAB9ASMN1; SMN2KDM4EMEN1
Trifluoroacetic Acid SCHEMBL7727095 0.85 SCN9A (0.54) ROCK2ROCK1MAPTRAB9ASMN1; SMN2
SCHEMBL4950040 0.85 ROCK2 (0.54) ROCK2ROCK1MAPTRAB9ASMN1; SMN2

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 ROCK2 2234/4885ROCK1 2365/4885MAPT 4181/4885
US-20060003944-A1 Bacterial efflux pump inhibitors and methods of treating bacterial infections ABCB11, ABCB1, ABCC1 ROCK2 1383/4885ROCK1 1532/4885MAPT 4102/4885

“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.