Sugi Predict

Sugi Predict / Compounds / SCHEMBL6444909

SCHEMBL6444909

SCHEMBL6444909

CC(C)CN(N)C[C@H](O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 2/20 0.54
▸ SPPL2A Q8TCT8 1/20 0.53
▸ CSNK1E P49674 1/20 0.51
▸ LAP3 P28838 4/20 0.49
▸ ANPEP P15144 1/20 0.49
▸ RNPEP Q9H4A4 1/20 0.49
▸ DNPEP Q9ULA0 1/20 0.49
▸ SLC6A2 P23975 2/20 0.47
▸ TAAR1 Q96RJ0 2/20 0.47
▸ MAOA P21397 1/20 0.47
▸ SLC6A4 P31645 1/20 0.47
▸ SLC6A3 Q01959 1/20 0.47
▸ SIGMAR1 Q99720 1/20 0.47
▸ CYP2A6 P11509 1/20 0.47
▸ ADORA2A P29274 1/20 0.47
▸ ADORA1 P30542 1/20 0.47
▸ EPHX1 P07099 1/20 0.46
▸ TRPA1 O75762 2/20 0.45
▸ CYP2D6 P10635 1/20 0.44
▸ SLC15A1 P46059 1/20 0.42

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
SCHEMBL22626653 0.87 SPPL2A (0.53) AOC3SPPL2ACSNK1ELAP3ANPEP
SCHEMBL13118762 0.87 SPPL2A (0.53) AOC3SPPL2ACSNK1ELAP3ANPEP
SCHEMBL6447559 0.85 CSNK1E (0.49) AOC3SPPL2ACSNK1ELAP3ANPEP
SCHEMBL16920027 0.83 SPPL2A (0.50) AOC3SPPL2ACSNK1ELAP3ANPEP
SCHEMBL7932110 0.83 SPPL2A (0.50) AOC3SPPL2ACSNK1ELAP3ANPEP
SCHEMBL14137554 0.82 SPPL2A (0.52) AOC3SPPL2ACSNK1ELAP3ANPEP
SCHEMBL3614651 0.82 SPPL2A (0.52) SPPL2ACSNK1ELAP3ANPEPRNPEP
SCHEMBL6449696 0.82 CSNK1E (0.61) AOC3SPPL2ACSNK1ELAP3ANPEP
SCHEMBL496237 0.81 CSNK1E (0.55) SPPL2ACSNK1ELAP3ANPEPRNPEP
SCHEMBL9076303 0.81 CSNK1E (0.64) SPPL2ACSNK1ELAP3ANPEPRNPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0521827-B1 Pharmacological active hydrazin derivatives and process for their preparation CIBA GEIGY AG (CH) 1996-09-25 — — EP claimed
US-20050130941-A1 Methods of treating alzheimer's disease PHARMACIA & UPJOHN COMPANY LLC 2005-06-16 — — US disclosed
US-5753652-A Antiretroviral hydrazine derivatives NOVARTIS CORPORATION (US) 1998-05-19 — — US disclosed
US-5670497-A RETROVIRAL PROTEASE INHIBITORS CIBA-GEIGY CORPORATION (US) 1997-09-23 — — US disclosed
EP-0521827-B1 Pharmacological active hydrazin derivatives and process for their preparation CIBA GEIGY AG (CH) 1996-09-25 — — EP disclosed
EP-0604368-B1 Anti retroviral hydrazine derivatives CIBA GEIGY AG (CH) 1996-09-18 — — EP disclosed
EP-0604368-A1 Anti retroviral hydrazine derivatives CIBA-GEIGY AG (CH) 1994-06-29 — — EP disclosed
EP-0521827-A1 Pharmacological active hydrazin derivatives and process for their preparation CIBA-GEIGY AG (CH) 1993-01-07 — — EP 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-20050130941-A1 Methods of treating alzheimer's disease BACE1, PSEN1, BACE2 AOC3 1192/4885SPPL2A 1033/4885CSNK1E 954/4885

“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.