SCHEMBL6041657

SCHEMBL6041657

O=C(O)N1CCC(c2ccc(F)cc2)C(OCc2ccc3ccccc3c2O)C1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.38
GAA P10253 3/20 0.37
PKM P14618 1/20 0.37
HIF1A Q16665 1/20 0.37
RAB9A P51151 3/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 2/20 0.35
ATM Q13315 1/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
TSHR P16473 1/20 0.35
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL6042210 0.88 HPGD (0.38) GAARAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL6041238 0.87 KDM1A (0.36) GAARAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL6042311 0.85 REN (0.36) GAARAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL6041274 0.82 RAB9A (0.35) FAAHGAARAB9AALDH1A1MAPT
SCHEMBL6042274 0.82 REN (0.38) GAARAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL6043496 0.82 REN (0.50)
SCHEMBL6042163 0.81 REN (0.39)
SCHEMBL6043509 0.81 RAB9A (0.39) GAARAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL6043265 0.81 SMN1; SMN2 (0.33) GAAPKMRAB9AALDH1A1MAPT
SCHEMBL6042196 0.80 DRD2 (0.40) GAARAB9AALDH1A1MAPTSMN1; SMN2

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 3 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
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 FAAH 466/4885GAA 37/4885PKM 2071/4885

“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.