SCHEMBL4049427

SCHEMBL4049427

NC1(C2CCN(Cc3ccccc3)C2)CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.50
BACE1 P56817 5/20 0.50
BCHE P06276 4/20 0.50
CYP3A4 P08684 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CCR3 P51677 1/20 0.49
SIGMAR1 Q99720 1/20 0.47
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL2267300 1.00 ACHE (0.50) ACHEBACE1BCHECYP3A4CYP1A2
SCHEMBL4671277 0.94 CYP1A2 (0.50) ACHEBACE1BCHECYP3A4CYP1A2
SCHEMBL19195295 0.81 ACHE (0.54) ACHEBACE1BCHECYP3A4CYP1A2
SCHEMBL25871654 0.81 CYP3A4 (0.49) ACHEBACE1BCHECYP3A4CYP1A2
SCHEMBL23647534 0.81 CYP3A4 (0.56) ACHECYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL27972174 0.79 TSHR (0.49) ACHEBACE1BCHECYP2D6ALDH1A1
SCHEMBL20895733 0.78 CYP1A2 (0.42) ACHECYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL16054301 0.78 CYP1A2 (0.42) ACHECYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL8603143 0.78 BCHE (0.50) ACHEBACE1BCHECYP3A4CYP1A2
SCHEMBL8570353 0.78 CYP1A2 (0.42) ACHECYP3A4CYP1A2CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10160726-B2 Quinolone derivatives as antibacterials NOVARTIS AG (CH) 2018-12-25 US disclosed
US-20170217897-A1 QUINOLONE DERIVATIVES AS ANTIBACTERIALS WUXI APPTEC (CN) 2017-08-03 US disclosed
US-20170217897-A1 QUINOLONE DERIVATIVES AS ANTIBACTERIALS WUXI APPTEC (CN) 2017-08-03 US disclosed
EP-3177593-A1 QUINOLONE DERIVATIVES AS ANTIBACTERIALS Novartis AG (CH) 2017-06-14 EP disclosed
WO-2016020836-A1 QUINOLONE DERIVATIVES AS ANTIBACTERIALS NOVARTIS AG (CH) 2016-02-11 WO disclosed
EP-1768987-B1 (R/S) RIFAMYCIN DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CUMBRE PHARMACEUTICALS INC (US) 2009-04-01 EP disclosed
US-7226931-B2 (R/S) rifamycin derivatives, their preparations and pharmaceutical compositions CUMBRE PHARMACEUTICALS INC. (US) 2007-06-05 US disclosed
US-7226931-B2 (R/S) rifamycin derivatives, their preparations and pharmaceutical compositions CUMBRE PHARMACEUTICALS INC. (US) 2007-06-05 US disclosed
US-7226931-B2 (R/S) rifamycin derivatives, their preparations and pharmaceutical compositions CUMBRE PHARMACEUTICALS INC. (US) 2007-06-05 US disclosed
US-20060019986-A1 (R/S) rifamycin derivatives, their preparations and pharmaceutical compositions CUMBRE INC. (US) 2006-01-26 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 (3 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-20170217897-A1 QUINOLONE DERIVATIVES AS ANTIBACTERIALS TOP1, NQO2, TOP2A ACHE 724/4885BACE1 2516/4885BCHE 1339/4885
US-20060019986-A1 (R/S) rifamycin derivatives, their preparations and pharmaceutical compositions RPS6KA1, RIF1, RPS27L ACHE 2806/4885BACE1 4415/4885BCHE 3644/4885
US-10160726-B2 Quinolone derivatives as antibacterials TOP1, NQO2, TOP2A ACHE 724/4885BACE1 2516/4885BCHE 1339/4885

“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.