SCHEMBL5065834

SCHEMBL5065834

OC1(c2ccc(-c3ccccc3)cc2)CN2CCC1CC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.65
CHRM2 P08172 1/20 0.56
CHRM4 P08173 1/20 0.56
CHRM5 P08912 1/20 0.56
CHRM1 P11229 1/20 0.56
CHRM3 P20309 1/20 0.56

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
SCHEMBL8777872 0.87 KMT2A (0.65) KMT2ACHRM2CHRM4CHRM5CHRM1
SCHEMBL8685580 0.86 CHRM1 (0.56) KMT2ACHRM2CHRM4CHRM5CHRM1
SCHEMBL6901583 0.86 KMT2A (0.63) KMT2ACHRM2CHRM4CHRM5CHRM1
Hydrochloric Acid SCHEMBL8685563 0.86 KMT2A (0.68) KMT2ACHRM2CHRM4CHRM5CHRM1
SCHEMBL8775260 0.84 CHRM1 (0.73) KMT2ACHRM2CHRM4CHRM5CHRM1
SCHEMBL8775364 0.84 KMT2A (0.61) KMT2ACHRM2CHRM4CHRM5CHRM1
SCHEMBL8649491 0.83 KMT2A (0.60) KMT2ACHRM2CHRM4CHRM5CHRM1
SCHEMBL8648529 0.83 KMT2A (0.60) KMT2ACHRM2CHRM4CHRM5CHRM1
SCHEMBL8645430 0.83 KMT2A (0.60) KMT2ACHRM2CHRM4CHRM5CHRM1
SCHEMBL8644761 0.83 KMT2A (0.60) KMT2ACHRM2CHRM4CHRM5CHRM1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0569564-B1 BIPHENYLYLQUINUCLIDINES, USEFUL AS SQUALENE SYNTHETASE INHIBITORS ZENECA LTD (GB) 1997-12-29 EP claimed
EP-0569564-A1 BIPHENYLYLQUINUCLIDINES, USEFUL AS SQUALENE SYNTHETASE INHIBITORS ZENECA LIMITED (GB) 1993-11-18 EP claimed
WO-1993009115-A1 BIPHENYLYLQUINUCLIDINES, USEFUL AS SQUALENE SYNTHETASE INHIBITORS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-05-13 WO claimed
US-20160375041-A1 INHIBITION OF ISOPRENOID BIOSYNTHETIC PATHWAYS TO TREAT AUTOIMMUNE DISORDERS TABACZYNSKI DAVID A (US) 2016-12-29 US disclosed
US-20160303146-A1 INHIBITION OF ISOPRENOID BIOSYNTHETIC PATHWAYS TO TREAT NEUROINFLAMMATORY DISORDERS TABACZYNSKI DAVID A (US) 2016-10-20 US disclosed
WO-2015089349-A1 INHIBITION OF ISOPRENOID BIOSYNTHETIC PATHWAYS TO TREAT NEUROINFLAMMATORY DISORDERS TABACZYNSKI DAVID A (US) 2015-06-18 WO disclosed
WO-2015084721-A1 INHIBITION OF ISOPRENOID BIOSYNTHETIC PATHWAYS TO TREAT AUTOIMMUNE DISORDERS TABACZYNSKI DAVID A (US) 2015-06-11 WO disclosed
US-20080119483-A1 COMPOSITIONS AND METHODS FOR INHIBITING PROTOZOAN GROWTH WASHINGTON UNIVERSITY IN ST. LOUIS (US) 2008-05-22 US disclosed
US-5792777-A SQUALENE SYNTHASE INHIBITORS, USEFUL IN TREATING HYPERCHOLESTEROLEMIA, ATHEROSCLEROSIS AND FUNGAL DISEASES ZENECA LIMITED (GB) 1998-08-11 US disclosed
EP-0569564-B1 BIPHENYLYLQUINUCLIDINES, USEFUL AS SQUALENE SYNTHETASE INHIBITORS ZENECA LTD (GB) 1997-12-29 EP disclosed
EP-0569564-A1 BIPHENYLYLQUINUCLIDINES, USEFUL AS SQUALENE SYNTHETASE INHIBITORS ZENECA LIMITED (GB) 1993-11-18 EP disclosed
WO-1993009115-A1 BIPHENYLYLQUINUCLIDINES, USEFUL AS SQUALENE SYNTHETASE INHIBITORS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-05-13 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 (2 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-20160375041-A1 INHIBITION OF ISOPRENOID BIOSYNTHETIC PATHWAYS TO TREAT AUTOIMMUNE DISORDERS GGPS1, FDPS, COASY KMT2A 4161/4885CHRM2 4276/4885CHRM4 3858/4885
US-20160303146-A1 INHIBITION OF ISOPRENOID BIOSYNTHETIC PATHWAYS TO TREAT NEUROINFLAMMATORY DISORDERS GGPS1, FDPS, COASY KMT2A 4620/4885CHRM2 4206/4885CHRM4 3398/4885

“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.