SCHEMBL6041997

SCHEMBL6041997

CCCC1CN(C(=O)O)CC(OCc2nc3ccccc3n2CC)C1c1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.40
MAPT P10636 3/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.40
TBXA2R P21731 2/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
PKM P14618 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
NTRK1 P04629 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
SCHEMBL7078105 0.82 TP53 (0.48) TP53SMN1; SMN2MAPTHTTLMNA
Hydrochloric Acid SCHEMBL7591150 0.81 TP53 (0.47) TP53SMN1; SMN2MAPTHTTLMNA
SCHEMBL6041267 0.78 REN (0.46)
SCHEMBL6042059 0.75 REN (0.45) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL6042000 0.72 LMNA (0.37) SMN1; SMN2LMNAKMT2AALDH1A1GAA
SCHEMBL6042173 0.70 MDM2 (0.45)
SCHEMBL6042563 0.69 CHRM2 (0.37) SMN1; SMN2LMNAALDH1A1GAA
SCHEMBL6044232 0.65 PTGER1 (0.37) SMN1; SMN2MAPTLMNAMEN1KMT2A
SCHEMBL6043236 0.64 REN (0.42)
SCHEMBL6042189 0.63 REN (0.43)

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 TP53 2505/4885SMN1; SMN2 1096/4885MAPT 43/4885

“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.