SCHEMBL6041877

SCHEMBL6041877

O=C(O)N1CCC(c2ccc(CSc3nc4ccc([N+](=O)[O-])cc4s3)cc2)C(OCc2ccc3ccccc3c2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 0.47
ALDH1A1 P00352 9/20 0.47
CYP3A4 P08684 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
CYP1A2 P05177 1/20 0.47
TSHR P16473 1/20 0.47
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
HTT P42858 2/20 0.42
LMNA P02545 6/20 0.39
MAPK1 P28482 3/20 0.38
GPR35 Q9HC97 2/20 0.38
GPR55 Q9Y2T6 1/20 0.38
REN P00797 1/20 0.38
PDK1 Q15118 1/20 0.37
TP53 P04637 2/20 0.37
ADRB2 P07550 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL6041883 1.00 MAPT (0.47) MAPTALDH1A1CYP3A4NPSR1CYP1A2
SCHEMBL6042118 0.90 CTSD (0.44) MAPTALDH1A1TSHRMEN1KMT2A
SCHEMBL7078121 0.86 MAPT (0.43) MAPTALDH1A1CYP3A4NPSR1CYP1A2
SCHEMBL6956039 0.83 REN (0.54) MAPTALDH1A1CYP3A4NPSR1CYP1A2
Hydrochloric Acid SCHEMBL7600823 0.83 REN (0.53) MAPTALDH1A1CYP3A4NPSR1CYP1A2
SCHEMBL6041782 0.83 CTSD (0.47) MAPTALDH1A1TSHRSMN1; SMN2MAPK1
SCHEMBL6042165 0.81 CTSD (0.48) MAPTALDH1A1TSHRSMN1; SMN2MAPK1
SCHEMBL6042739 0.79 REN (0.45) REN
SCHEMBL6041307 0.77 REN (0.52) REN
SCHEMBL6042287 0.77 REN (0.52) REN

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 MAPT 43/4885ALDH1A1 2504/4885CYP3A4 3733/4885

“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.