SCHEMBL8204423

SCHEMBL8204423

C[C@@H](c1cccc(OC(=O)N(C)CCC(Oc2ccc(C(F)(F)F)cc2)c2ccccc2)c1)N(C)C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 9/20 0.60
SLC6A4 P31645 2/20 0.58
HRH3 Q9Y5N1 2/20 0.58
ACHE P22303 8/20 0.55
BCHE P06276 6/20 0.55
FAAH O00519 1/20 0.55
MARK4 Q96L34 1/20 0.52
NPC1 O15118 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C19 P33261 2/20 0.47
MTOR P42345 2/20 0.47
RAB9A P51151 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 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
SCHEMBL5269933 0.89 SLC6A9 (0.71) SLC6A9SLC6A4HRH3ACHENPC1
SCHEMBL10109825 0.89 ACHE (0.59) SLC6A9ACHEBCHEFAAHMARK4
SCHEMBL7943023 0.84 SLC6A9 (0.72) SLC6A9SLC6A4HRH3ACHENPC1
SCHEMBL12208533 0.82 ACHE (0.58) SLC6A9SLC6A4HRH3ACHEBCHE
Toluene SCHEMBL8723129 0.82 SLC6A9 (0.56) SLC6A9SLC6A4HRH3ACHENPC1
SCHEMBL13780465 0.81 SLC6A9 (0.77) SLC6A9SLC6A4HRH3ACHENPC1
SCHEMBL8722264 0.80 SLC6A9 (0.61) SLC6A9SLC6A4HRH3ACHENPC1
SCHEMBL7939788 0.80 SLC6A9 (0.69) SLC6A9SLC6A4HRH3ACHENPC1
SCHEMBL8722262 0.79 SLC6A9 (0.67) SLC6A9SLC6A4HRH3ACHENPC1
SCHEMBL13050309 0.78 SLC6A9 (0.69) SLC6A9SLC6A4HRH3ACHENPC1

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 10 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
WO-2010009316-A1 STIGMINE CONJUGATES FOR SUBSTANCE USE DISORDERS COLUCID PHARMACEUTICALS, INC. (US) 2010-01-21 WO 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
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
WO-2008097546-A2 COMPOUNDS THAT INHIBIT CHOLINESTERASE COLUCID PHARMACEUTICALS, INC. (US) 2008-08-14 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 (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 SLC6A9 869/4885SLC6A4 57/4885HRH3 425/4885
US-20090048229-A1 Methods for promoting wakefulness HCRTR2, HCRTR1, CHAT SLC6A9 1085/4885SLC6A4 157/4885HRH3 54/4885
US-20080261950-A1 Compounds that inhibit cholinesterase ACHE, BCHE, CHAT SLC6A9 2535/4885SLC6A4 1102/4885HRH3 436/4885

“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.