SCHEMBL6041455

SCHEMBL6041455

O=C(O)N1CCC(O)(c2ccc(=O)[nH]c2)CC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
CA12 O43570 3/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA7 P43166 3/20 0.36
CA9 Q16790 3/20 0.36
CA14 Q9ULX7 3/20 0.36
HSD11B1 P28845 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRK1 P41145 1/20 0.35
OPRL1 P41146 1/20 0.35
CCR1 P32246 4/20 0.34
RORC P51449 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
SCHEMBL6955508 0.81 DRD2 (0.34) KMT2AMEN1ALDH1A1DRD2DRD4
SCHEMBL8781677 0.77 ALDH1A1 (0.36) KMT2AALDH1A1DRD2
SCHEMBL7589972 0.76 DRD2 (0.53) KMT2AALDH1A1DRD2OPRM1
SCHEMBL795975 0.75 ALDH1A1 (0.56) KMT2AMEN1ALDH1A1LMNACA12
SCHEMBL8781567 0.74 ALDH1A1 (0.34) ALDH1A1DRD2OPRM1OPRK1OPRL1
SCHEMBL2229509 0.74 MEN1 (0.62) KMT2AMEN1ALDH1A1CA12CA1
SCHEMBL5371705 0.74 OPRM1 (0.55) KMT2AMEN1ALDH1A1DRD2OPRM1
SCHEMBL1427539 0.74 CA12 (0.57) KMT2AMEN1ALDH1A1CA12CA1
SCHEMBL4725181 0.74 OPRM1 (0.55) DRD2DRD4DRD3OPRM1OPRK1
Hydrochloric Acid SCHEMBL3428799 0.72 OPRM1 (0.52) DRD2DRD4DRD3OPRM1OPRK1

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 2 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-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 KMT2A 2702/4885MEN1 2561/4885ALDH1A1 2504/4885

“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.