SCHEMBL6444377

SCHEMBL6444377

[CH2]C(CC(=O)CN(C)C)Cc1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.46
MMP9 P14780 1/20 0.45
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
MME P08473 2/20 0.41
ACE P12821 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
CPA1 P15085 1/20 0.39
ACE2 Q9BYF1 1/20 0.39
POLB P06746 1/20 0.38
OPRM1 P35372 1/20 0.38
MTNR1A P48039 1/20 0.38
METAP2 P50579 1/20 0.38
ACP3 P15309 1/20 0.38
NLN Q9BYT8 2/20 0.38
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL7294849 0.82 CTNNB1 (0.44) CTNNB1MMP9CYP1A2CYP2D6CYP2C19
SCHEMBL6446326 0.82 CTNNB1 (0.44) CTNNB1MMP9CYP1A2CYP2D6CYP2C19
SCHEMBL6444646 0.81 CTNNB1 (0.51) CTNNB1MMP9CYP1A2CYP2D6CYP2C19
SCHEMBL6443644 0.80 TDP1 (0.57) CTNNB1MMP9CYP1A2CYP2C19TDP1
SCHEMBL6448844 0.78 CYP2D6 (0.51) CTNNB1MMP9CYP1A2CYP2D6CYP2C19
SCHEMBL3826726 0.78 TDP1 (0.59) CYP1A2CYP2D6CYP2C19TDP1L3MBTL1
SCHEMBL6444672 0.78 CTNNB1 (0.48) CTNNB1MMP9CYP1A2TDP1MME
Hydrochloric Acid SCHEMBL4922818 0.77 TDP1 (0.57) CYP1A2CYP2D6CYP2C19TDP1L3MBTL1
SCHEMBL10391170 0.74 CYP1A2 (0.47) CTNNB1MMP9CYP1A2CYP2D6CYP2C19
SCHEMBL6445467 0.73 HTR1B (0.47) CTNNB1MMP9CYP1A2CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050130941-A1 Methods of treating alzheimer's disease PHARMACIA & UPJOHN COMPANY LLC 2005-06-16 US disclosed
EP-1392315-A1 METHODS OF TREATING ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-03-03 EP disclosed
WO-2002100410-A1 METHODS OF TREATING ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-12-19 WO disclosed
US-5753652-A Antiretroviral hydrazine derivatives NOVARTIS CORPORATION (US) 1998-05-19 US disclosed
EP-0521827-B1 Pharmacological active hydrazin derivatives and process for their preparation CIBA GEIGY AG (CH) 1996-09-25 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 CTNNB1 1728/4885MMP9 26/4885CYP1A2 1864/4885

“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.