SCHEMBL7679980

SCHEMBL7679980

COc1cccc(C2(Cc3ccccc3)CCN(C)C2=O)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.45
BACE2 Q9Y5Z0 1/20 0.45
AR P10275 2/20 0.44
SIGMAR1 Q99720 7/20 0.44
OPRM1 P35372 2/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
OPRL1 P41146 1/20 0.43
KMT2A Q03164 1/20 0.43
PDE4A P27815 2/20 0.42
PDE4B Q07343 2/20 0.42
PDE4C Q08493 2/20 0.42
PDE4D Q08499 2/20 0.42
NR3C1 P04150 1/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL7677681 0.93 OPRM1 (0.44) BACE1BACE2ARSIGMAR1OPRM1
SCHEMBL7692983 0.81 SIGMAR1 (0.46) BACE1BACE2SIGMAR1OPRM1KMT2A
SCHEMBL10692592 0.77 BACE1 (0.44) BACE1BACE2ARSIGMAR1KMT2A
SCHEMBL7586274 0.77 FNTA (0.52) SIGMAR1KMT2A
SCHEMBL7571079 0.77 FNTA (0.52) SIGMAR1KMT2A
SCHEMBL7564884 0.77 FNTA (0.52) SIGMAR1KMT2A
SCHEMBL24596435 0.77 OPRL1 (0.43) OPRL1KMT2APDE4APDE4BPDE4C
SCHEMBL622589 0.77 PDE4A (0.46) BACE1BACE2ARSIGMAR1KMT2A
SCHEMBL7677003 0.76 FNTA (0.43) SIGMAR1KMT2A
Cyclopropane SCHEMBL7680538 0.76 FNTA (0.51) BACE1SIGMAR1KMT2A

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-20020037888-A1 4-imidazol-1-ylmethyl-2-(2-(2-oxo-piperidin-1-yl)-phenoxy) -benzonitrile for example; farnesyl-protein transferase inhibitors; treating cancer, benign proliferative disorder, hepatitis virus, restenosis, and polycystic kidney disease MERCK & CO., INC. 2002-03-28 US disclosed
US-6284755-B1 Inhibitors of prenyl-protein transferase MERCK & CO., INC. 2001-09-04 US disclosed
WO-2000034437-A2 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2000-06-15 WO 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-20020037888-A1 4-imidazol-1-ylmethyl-2-(2-(2-oxo-piperidin-1-yl)-phenoxy) -benzonitrile for example; farnesyl-protein transferase inhibitors; treating cancer, benign proliferative disorder, hepatitis virus, restenosis, and polycystic kidney disease FNTA, PKD1, FNTB BACE1 3300/4885BACE2 3290/4885AR 2077/4885

“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.