SCHEMBL7200674

SCHEMBL7200674

O=C(O[C@H]1CC2CCN1CC2)C(O)(c1ccccc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 5/20 0.57
CHRM2 P08172 4/20 0.54
CHRM1 P11229 4/20 0.54
CHRM4 P08173 3/20 0.54
CHRM5 P08912 3/20 0.54

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
SCHEMBL3980371 1.00 CHRM3 (0.57) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL827869 1.00 CHRM3 (0.57) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL7206193 1.00 CHRM3 (0.57) CHRM3CHRM2CHRM1CHRM4CHRM5
Chloromethane SCHEMBL27725461 0.97 CHRM3 (0.58) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL9148888 0.92 CHRM3 (0.50) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL7648970 0.88 CHRM3 (0.48) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL10813827 0.88 CHRM3 (0.45) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL7525984 0.86 CHRM3 (0.45) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL10813833 0.82 CHRM3 (0.42) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL5857109 0.77 CHRM3 (0.38) CHRM3CHRM2CHRM1CHRM4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030050226-A1 Dopamine analog amide SHASHOUA VICTOR E (US) 2003-03-13 US disclosed
US-6407137-B2 A PRODRUG COMPOUND CAPABLE OF FACILITATING THE PASSAGE OF A DRUG ACROSS THE BLOOD BRAIN BARRIER COMPRISING A FATTY ACID COUPLED TO A DRUG TO FORM A PRODRUG PROTARGA, INC. 2002-06-18 US disclosed
US-20010056116-A1 Dopamine analog amide LUITPOLD PHARMACEUTICALS, INC. 2001-12-27 US disclosed
US-6258836-B1 FATTY ACID COUPLED TO ANTIAIDS SUBSTANCE, ANTIBIOTIC, CHOLINERGIC AGONIST AND OTHER USES FOR PASSING THE BLOOD BRAIN BARRIER PROTARGA, INC. 2001-07-10 US disclosed
US-6107499-A FACILITATING THE TRANSPORT OF A NEUROTRANSMITTER ACROSS THE BLOOD BRAIN BARRIER BY ADMINISTERING THE DRUG, A NEUROTRANSMITTER SUCH AS DOPAMINE COVALENTLY COUPLED TO A SINGLE, STRAIGHT-CHAINED FATTY ACID CARRIER MOLECULE NEUROMEDICA, INC. (US) 2000-08-22 US disclosed
US-5994392-A PASSAGE OF DRUG THROUGH BLOOD BRAIN BARRIER NEUROMEDICA, INC. (US) 1999-11-30 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 (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-20010056116-A1 Dopamine analog amide FABP7, SLC6A3, ALOX15 CHRM3 999/4885CHRM2 1324/4885CHRM1 995/4885
US-20030050226-A1 Dopamine analog amide FABP7, SLC6A3, ALOX15 CHRM3 999/4885CHRM2 1324/4885CHRM1 995/4885

“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.