SCHEMBL6446039

SCHEMBL6446039

[O]C(=O)CCc1ccccn1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
CYP2C19 P33261 1/20 0.57
HRH1 P35367 2/20 0.53
TDP1 Q9NUW8 2/20 0.49
ALOX15 P16050 2/20 0.49
HPGD P15428 1/20 0.49
LMNA P02545 2/20 0.49
PTPRA P18433 1/20 0.49
HRH3 Q9Y5N1 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
ALDH1A1 P00352 2/20 0.47
TAAR1 Q96RJ0 1/20 0.47
HSD17B10 Q99714 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL6196923 0.89 SMN1; SMN2 (0.68) CYP1A2SMN1; SMN2CYP2C19HRH1TDP1
SCHEMBL29499090 0.84 SMN1; SMN2 (0.62) CYP1A2SMN1; SMN2CYP2C19HRH1TDP1
SCHEMBL333243 0.84 SMN1; SMN2 (0.62) CYP1A2SMN1; SMN2CYP2C19HRH1TDP1
Hydrochloric Acid SCHEMBL4174816 0.82 SMN1; SMN2 (0.60) CYP1A2SMN1; SMN2CYP2C19HRH1TDP1
SCHEMBL403460 0.82 CYP1A2 (0.56) CYP1A2SMN1; SMN2CYP2C19HRH1TDP1
Hydrochloric Acid SCHEMBL28672925 0.82 SMN1; SMN2 (0.60) CYP1A2SMN1; SMN2CYP2C19HRH1TDP1
SCHEMBL626826 0.82 HRH1 (0.57) CYP1A2SMN1; SMN2CYP2C19HRH1TDP1
SCHEMBL5493166 0.82 SMN1; SMN2 (0.56) CYP1A2SMN1; SMN2CYP2C19HRH1TDP1
Lithium Ion SCHEMBL28463950 0.82 CYP1A2 (0.56) CYP1A2SMN1; SMN2CYP2C19HRH1TDP1
SCHEMBL2722250 0.82 ALDH1A1 (0.57) CYP1A2SMN1; SMN2CYP2C19HRH1TDP1

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 7 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-0604368-B1 Anti retroviral hydrazine derivatives CIBA GEIGY AG (CH) 1996-09-18 EP disclosed
CN-1093701-A Antiretroviral hydrazine derivative CIBA GEIGY AG (CH) 1994-10-19 CN disclosed
EP-0604368-A1 Anti retroviral hydrazine derivatives CIBA-GEIGY AG (CH) 1994-06-29 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 CYP1A2 1864/4885SMN1; SMN2 1200/4885CYP2C19 1268/4885

“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.