SCHEMBL6043929

SCHEMBL6043929

OC1CNCCC1c1cccnc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.52
CHRNB2 P17787 10/20 0.51
CHRNA4 P43681 10/20 0.51
CHRNA7 P36544 2/20 0.47
CYP2A6 P11509 2/20 0.47
MEN1 O00255 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C19 P33261 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP11B2 P19099 1/20 0.44
CHRNB4 P30926 2/20 0.43
CHRNA3 P32297 2/20 0.43
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 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
SCHEMBL16271996 0.81 KDM1A (0.52) KDM1ACHRNB2CHRNA4CHRNA7CYP2A6
Hydrochloric Acid SCHEMBL17667431 0.80 KDM1A (0.51) KDM1ACHRNB2CHRNA4CHRNA7CYP2A6
SCHEMBL8471748 0.80 KDM1A (0.50) KDM1A
SCHEMBL407883 0.80 KDM1A (0.50) KDM1A
SCHEMBL8870050 0.80 KDM1A (0.50) KDM1A
SCHEMBL11565325 0.80 KDM1A (0.50) KDM1A
SCHEMBL8317532 0.80 KDM1A (0.50) KDM1A
SCHEMBL11565322 0.80 KDM1A (0.50) KDM1A
SCHEMBL17474488 0.80 KDM1A (0.48) KDM1ACHRNB2CHRNA4CHRNA7CYP2A6
Hydrochloric Acid SCHEMBL442396 0.78 SLC18A3 (0.49) KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060079533-A1 Methods of treating alzheimer's disease NIEMAN JAMES A 2006-04-13 US disclosed
EP-0863875-B1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY HOFFMANN LA ROCHE (CH) 2003-06-04 EP disclosed
WO-2002076440-A2 METHODS OF TREATING ALZHEIMER'S DISEASE WITH PIPERIDIN DERIVATES ELAN PHARMACEUTICALS, INC. (US) 2002-10-03 WO disclosed
US-6150526-A Piperidine derivative having renin inhibiting activity HOFFMANN-LA ROCHE INC. (US) 2000-11-21 US disclosed
US-6051712-A PREVENTION OF HIGH BLOOD PRESSURE AND CARDIAC INSUFFICIENCY, AS WELL AS GLAUCOMA, CARDIAC INFARCT, KIDNEY INSUFFICIENCY AND RESTENOSIS HOFFMANN-LA ROCHE INC. (US) 2000-04-18 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-20060079533-A1 Methods of treating alzheimer's disease BACE1, PSEN1, PSEN2 KDM1A 1891/4885CHRNB2 47/4885CHRNA4 66/4885

“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.