SCHEMBL10109005

SCHEMBL10109005

Cc1nc2c(n1C(C)(C)C)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1-2

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 16/20 0.70
AVPR1A P37288 14/20 0.70
OXTR P30559 1/20 0.56
AVPR1B P47901 4/20 0.55

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
SCHEMBL8204092 0.90 AVPR2 (0.74) AVPR2AVPR1AOXTRAVPR1B
Hydrochloric Acid SCHEMBL6993733 0.89 AVPR2 (0.73) AVPR2AVPR1AOXTRAVPR1B
Conivaptan SCHEMBL49815 0.82 AVPR2 (1.00) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL6991859 0.82 AVPR1A (0.72) AVPR2AVPR1AOXTRAVPR1B
Conivaptan SCHEMBL28043077 0.81 AVPR2 (0.98) AVPR2AVPR1AOXTRAVPR1B
Conivaptan SCHEMBL1649913 0.81 AVPR2 (0.97) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL17471541 0.79 AVPR2 (0.68) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL6619403 0.79 AVPR2 (0.65) AVPR2AVPR1AOXTRAVPR1B
Conivaptan SCHEMBL4625101 0.77 AVPR2 (0.75) AVPR2AVPR1AOXTRAVPR1B
Conivaptan SCHEMBL29406590 0.77 AVPR2 (0.75) AVPR2AVPR1AOXTRAVPR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101782-B2 Drug hybrid of rivastigmine or physostigmine with tranylcypromine, amoxapine, desipramine, nortriptyline, protriptyline, fluoxetine, fluvoxamine, paroxetine, duloxetine, betahistine, amlodipine, proylhexedrine, rimantadine, desloratadine; Alzheimer's disease; Parkinson's disease, impairment in memory COLUCID PHARMACEUTICALS, INC. (US) 2012-01-24 US disclosed
US-8101782-B2 Drug hybrid of rivastigmine or physostigmine with tranylcypromine, amoxapine, desipramine, nortriptyline, protriptyline, fluoxetine, fluvoxamine, paroxetine, duloxetine, betahistine, amlodipine, proylhexedrine, rimantadine, desloratadine; Alzheimer's disease; Parkinson's disease, impairment in memory COLUCID PHARMACEUTICALS, INC. (US) 2012-01-24 US disclosed
US-20080261950-A1 Compounds that inhibit cholinesterase COLUCID PHARMACEUTICALS, INC. (US) 2008-10-23 US disclosed
US-20080261950-A1 Compounds that inhibit cholinesterase COLUCID PHARMACEUTICALS, INC. (US) 2008-10-23 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-20080261950-A1 Compounds that inhibit cholinesterase ACHE, BCHE, CHAT AVPR2 3205/4885AVPR1A 3030/4885OXTR 2380/4885

“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.