SCHEMBL6041552

SCHEMBL6041552

O=C(O)N1CCC(c2cccc3ccccc23)C(O)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
KDM1A O60341 1/20 0.42
HIF1A Q16665 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
EPHX1 P07099 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NR4A1 P22736 1/20 0.38
NR4A2 P43354 1/20 0.38

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
SCHEMBL2883527 0.81 OPRL1 (0.43) ALDH1A1CYP2C9CYP2C19
SCHEMBL2882782 0.81 RAB9A (0.47) KDM4EMEN1KMT2AALDH1A1CYP2C9
SCHEMBL2882238 0.81 OPRL1 (0.43) ALDH1A1CYP2C9CYP2C19
SCHEMBL6042367 0.81 ALDH1A1 (0.43) KDM4EMEN1KMT2AALDH1A1HSD17B10
SCHEMBL27503614 0.80 NOTUM (0.43) MTNR1AMTNR1BKDM1AHIF1AKDM4E
SCHEMBL28805535 0.79 HRH3 (0.56) HRH3MTNR1AHIF1AKDM4EMEN1
SCHEMBL2241225 0.78 SLC18A3 (0.55) HRH3KDM1AALDH1A1SLC6A2SLC6A4
SCHEMBL2241229 0.78 SLC18A3 (0.55) HRH3KDM1AALDH1A1SLC6A2SLC6A4
SCHEMBL6042250 0.78 SLC18A3 (0.55) HRH3KDM1AALDH1A1SLC6A2SLC6A4
SCHEMBL6042493 0.77 SIGMAR1 (0.50) ALDH1A1SLC6A4

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 HRH3 404/4885MTNR1A 117/4885MTNR1B 130/4885

“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.