SCHEMBL2095392

SCHEMBL2095392

O[C@@H]1C[N]C[C@H]1NCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 2/20 0.50
KDM1A O60341 8/20 0.49
MAOA P21397 3/20 0.49
MAOB P27338 2/20 0.43
FYN P06241 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GRIN2B Q13224 1/20 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
SCHEMBL2095964 1.00 FUCA1 (0.50) FUCA1KDM1AMAOAMAOBFYN
SCHEMBL2301167 0.76 GRIN2B (0.56) KDM1AMAOAFYNGRIN2B
SCHEMBL9033727 0.76 KDM1A (0.45) FUCA1KDM1AMAOAMAOBGRIN2B
SCHEMBL14001426 0.74 LTA4H (0.58) FUCA1KDM1AMAOAGRIN2B
SCHEMBL697761 0.74 LTA4H (0.58) FUCA1KDM1AMAOAGRIN2B
SCHEMBL1755583 0.74 LTA4H (0.58) FUCA1KDM1AMAOAGRIN2B
SCHEMBL15818134 0.74 LTA4H (0.58) FUCA1KDM1AMAOAFYNGRIN2B
SCHEMBL15780394 0.74 LTA4H (0.58) FUCA1KDM1AMAOAGRIN2B
SCHEMBL15921601 0.74 LTA4H (0.58) FUCA1KDM1AMAOAGRIN2B
SCHEMBL13634413 0.74 LTA4H (0.58) FUCA1KDM1AMAOAFYNGRIN2B

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-20030232818-A1 Antibacterial compounds ABBVIE INC. 2003-12-18 US claimed
US-8163769-B2 1,8-naphthyridine derivatives ABBOTT LABORATORIES (US) 2012-04-24 US disclosed
US-20030232818-A1 Antibacterial compounds ABBVIE INC. 2003-12-18 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-20030232818-A1 Antibacterial compounds PGLS, UGT1A1, CASP1 FUCA1 1697/4885KDM1A 2856/4885MAOA 684/4885

“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.