SCHEMBL6042700

SCHEMBL6042700

O=C(OCC(Cl)(Cl)Cl)OC1CN(C(=O)O)CCC1c1ccc(Br)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
GAA P10253 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM1A O60341 2/20 0.35
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
POLB P06746 1/20 0.34
RORC P51449 1/20 0.34
HRH3 Q9Y5N1 2/20 0.33

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
SCHEMBL6042380 0.78 CHRM2 (0.35) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL6041266 0.72 SLC6A3 (0.41) CHRM2CHRM4CHRM1CHRM3SALL4
SCHEMBL23291451 0.71 KDM1A (0.45) ALDH1A1CYP1A2CYP3A4GAACYP2D6
SCHEMBL22804711 0.71 KDM1A (0.45) ALDH1A1CYP1A2CYP3A4GAACYP2D6
SCHEMBL6041675 0.71 KDM1A (0.45) ALDH1A1CYP1A2CYP3A4GAACYP2D6
SCHEMBL18586907 0.70 ALDH1A1 (0.43) ALDH1A1CYP1A2CYP3A4GAACYP2D6
SCHEMBL6041870 0.70 HRH3 (0.36) ALDH1A1CYP1A2CYP3A4GAACYP2D6
SCHEMBL22804784 0.70 KDM1A (0.44) ALDH1A1CYP1A2CYP3A4GAACYP2D6
SCHEMBL22804345 0.70 KDM1A (0.44) ALDH1A1CYP1A2CYP3A4GAACYP2D6
SCHEMBL22804467 0.70 KDM1A (0.44) ALDH1A1CYP1A2CYP3A4GAACYP2D6

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 4 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
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 CHRM2 39/4885CHRM4 129/4885CHRM1 67/4885

“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.