SCHEMBL10109445

SCHEMBL10109445

C[C@@H](c1cccc(OC(=O)N(C)CCCN2c3ccccc3CCc3ccccc32)c1)N(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 13/20 0.57
BCHE P06276 11/20 0.57
FAAH O00519 1/20 0.57
SLC6A4 P31645 6/20 0.53
MARK4 Q96L34 1/20 0.52
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
ADORA3 P0DMS8 2/20 0.47
CHRM1 P11229 2/20 0.47
DRD2 P14416 2/20 0.47
ADRA2B P18089 2/20 0.47
ADRA2C P18825 2/20 0.47
CHRM3 P20309 2/20 0.47
CNR1 P21554 2/20 0.47
SLC6A2 P23975 2/20 0.47
HTR2A P28223 2/20 0.47
HTR2C P28335 2/20 0.47
ADRA1A P35348 2/20 0.47
HRH1 P35367 2/20 0.47
DRD3 P35462 2/20 0.47

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
SCHEMBL13522102 0.88 ACHE (0.47) ACHEBCHEFAAHSLC6A4MARK4
SCHEMBL10109467 0.87 ACHE (0.58) ACHEBCHEFAAHSLC6A4MARK4
SCHEMBL221187 0.79 SLC6A4 (0.68) SLC6A4LMNAMAPTADORA3CHRM1
SCHEMBL13522101 0.77 ACHE (0.67) ACHEBCHEFAAHMARK4
SCHEMBL8205769 0.77 ACHE (0.57) ACHEBCHEFAAHSLC6A4MARK4
SCHEMBL12043571 0.77 ACHE (0.81) ACHEBCHEFAAHMARK4
SCHEMBL8724668 0.76 SLC6A4 (0.61) SLC6A4LMNAMAPTADORA3CHRM1
SCHEMBL220948 0.76 SLC6A4 (0.61) SLC6A4LMNAMAPTADORA3CHRM1
Rivastigmine SCHEMBL6382107 0.74 ACHE (1.00) ACHEBCHEFAAHMARK4
Rivastigmine SCHEMBL1170429 0.74 ACHE (1.00) ACHEBCHEFAAHMARK4

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 9 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-20110251175-A1 Stigmine Conjugates for Substance Use Disorders COLUCID PHARMACEUTICALS, INC. 2011-10-13 US disclosed
US-20110251175-A1 Stigmine Conjugates for Substance Use Disorders COLUCID PHARMACEUTICALS, INC. 2011-10-13 US disclosed
US-20090048229-A1 Methods for promoting wakefulness COLUCID PHARMACEUTICALS, INC. 2009-02-19 US disclosed
US-20090048229-A1 Methods for promoting wakefulness COLUCID PHARMACEUTICALS, INC. 2009-02-19 US disclosed
WO-2009011901-A2 METHODS FOR PROMOTING WAKEFULNESS COLUCID PHARMACEUTICALS, INC. (US) 2009-01-22 WO 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 (3 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-20110251175-A1 Stigmine Conjugates for Substance Use Disorders TACR2, NPSR1, TACR3 ACHE 44/4885BCHE 71/4885FAAH 164/4885
US-20090048229-A1 Methods for promoting wakefulness HCRTR2, HCRTR1, CHAT ACHE 107/4885BCHE 85/4885FAAH 41/4885
US-20080261950-A1 Compounds that inhibit cholinesterase ACHE, BCHE, CHAT ACHE 1/4885BCHE 2/4885FAAH 145/4885

“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.