SCHEMBL3315232

SCHEMBL3315232

N[C@@H]1CCCCN(c2c(C(=O)O)c(=O)c3cc(F)cc(Cl)c3n2C2CC2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
PIM1 P11309 2/20 0.41
GSK3A P49840 2/20 0.41
GSK3B P49841 2/20 0.41
PIM3 Q86V86 2/20 0.41
CSNK1G1 Q9HCP0 1/20 0.41
PRKD3 O94806 1/20 0.38
IRAK1 P51617 1/20 0.38
RPS6KA3 P51812 1/20 0.38
DYRK1A Q13627 1/20 0.38
CSNK1G3 Q9Y6M4 1/20 0.38
DPP4 P27487 13/20 0.36
FAP Q12884 2/20 0.36
TOP1 P11387 1/20 0.33
TOP2A P11388 1/20 0.33

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
Hydrochloric Acid SCHEMBL6005743 0.92 ALDH1A1 (0.48) ALDH1A1POLBCHRM2CHRM1OPRM1
Hydrochloric Acid SCHEMBL3726196 0.74 ALDH1A1 (0.40) ALDH1A1POLBCHRM2CHRM1OPRM1
SCHEMBL9866155 0.73 KDM4E (0.36) ALDH1A1POLBCHRM2CHRM1OPRM1
SCHEMBL8324882 0.71 CHRM2 (0.42) CHRM2DPP4
SCHEMBL9865852 0.70 CHRM1 (0.34) CHRM1
SCHEMBL9129070 0.70 PIM1 (0.37) ALDH1A1POLBCHRM2CHRM1OPRM1
SCHEMBL10730540 0.70 KCNH2 (0.52) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL9129061 0.70 PIM1 (0.37) ALDH1A1POLBCHRM2CHRM1OPRM1
SCHEMBL10700723 0.69 ALDH1A1 (0.66) ALDH1A1POLBCHRM2CHRM1OPRM1
SCHEMBL6588035 0.69 PIM1 (0.38) ALDH1A1POLBCHRM2CHRM1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8415342-B2 Besifloxacin ophthalmic composition for the treatment or control of infection BAUSCH & LOMB INCORPORATED (US) 2013-04-09 US disclosed
WO-2010051291-A1 BESIFLOXACIN OPHTHALMIC COMPOSITION FOR THE TREATMENT OR CONTROL OF INFECTION BAUSCH & LOMB INCORPORATED (US) 2010-05-06 WO disclosed
US-20100105662-A1 Besifloxacin Ophthalmic Composition for the Treatment or Control of Infection MEDICIS PHARMACEUTICAL CORPORATION 2010-04-29 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 (1 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-20100105662-A1 Besifloxacin Ophthalmic Composition for the Treatment or Control of Infection BLM, BROX, CRYAB ALDH1A1 4717/4885POLB 141/4885CHRM2 4370/4885

“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.