SCHEMBL13440002

SCHEMBL13440002

CC(C)N(C)CCOC(=O)c1ccc(N)cc1Cl

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 3/20 0.70
MAOA P21397 2/20 0.70
HRH3 Q9Y5N1 2/20 0.70
CHRM2 P08172 1/20 0.70
CHRM3 P20309 1/20 0.70
HTR2C P28335 1/20 0.70
CHRNA4 P43681 1/20 0.70
KCNH2 Q12809 1/20 0.70
CYP2D6 P10635 3/20 0.47
CYP1A2 P05177 2/20 0.47
SCN1A P35498 1/20 0.47
SCN2A Q99250 1/20 0.47
SCN3A Q9NY46 1/20 0.47
PHLPP2 Q6ZVD8 1/20 0.46
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 4/20 0.44
TSHR P16473 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
HTR4 Q13639 1/20 0.42

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
SCHEMBL13439998 0.86 HTR3A (0.73) HTR3AMAOAHRH3CHRM2CHRM3
SCHEMBL13440004 0.84 HTR3A (0.79) HTR3AMAOAHRH3CHRM2CHRM3
Chloroprocaine SCHEMBL6676 0.83 HRH3 (1.00) HTR3AMAOAHRH3CHRM2CHRM3
Chloroprocaine SCHEMBL29354179 0.83 HRH3 (1.00) HTR3AMAOAHRH3CHRM2CHRM3
Chloroprocaine SCHEMBL21612249 0.82 HRH3 (0.97) HTR3AMAOAHRH3CHRM2CHRM3
Chloroprocaine SCHEMBL1650786 0.82 HRH3 (0.97) HTR3AMAOAHRH3CHRM2CHRM3
Chloroprocaine SCHEMBL24096 0.82 HRH3 (0.97) HTR3AMAOAHRH3CHRM2CHRM3
SCHEMBL13440000 0.81 HTR3A (0.70) HTR3AMAOAHRH3CHRM2CHRM3
SCHEMBL13440012 0.79 CHRM2 (0.56) HTR3AMAOAHRH3CHRM2CHRM3
Chloroprocaine SCHEMBL28104711 0.78 HRH3 (0.88) HTR3AMAOAHRH3CHRM2CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056575-A1 Anesthetic Compounds SIGNATURE THERAPEUTICS, INC. 2010-03-04 US disclosed
US-20100056575-A1 Anesthetic Compounds SIGNATURE THERAPEUTICS, INC. 2010-03-04 US disclosed
WO-2008011539-A2 ANESTHETIC COMPOUNDS PHARMACOFORE, INC. (US) 2008-01-24 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 (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-20100056575-A1 Anesthetic Compounds OPRL1, OPRM1, CYP3A5 HTR3A 547/4885MAOA 658/4885HRH3 2314/4885

“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.