SCHEMBL6798494

SCHEMBL6798494

CN(C)c1ccc(C(=O)C2CNCCO2)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
SSTR4 P31391 5/20 0.41
NPC1 O15118 2/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
REN P00797 4/20 0.38
RAB9A P51151 2/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38

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
SCHEMBL21484361 0.81 SSTR4 (0.41) SSTR4
SCHEMBL5948132 0.81 SSTR4 (0.41) SSTR4SLC6A2SLC6A4
SCHEMBL6937389 0.81 SSTR4 (0.43) SSTR4SLC6A3
SCHEMBL3742282 0.80 SSTR4 (0.45) SSTR4KMT2ARENSLC6A2SLC6A4
SCHEMBL8292968 0.80 SSTR4 (0.45) SSTR4KMT2ARENSLC6A2SLC6A4
SCHEMBL28109125 0.80 REN (0.47) HPGDALDH1A1SSTR4NPC1KMT2A
SCHEMBL2983183 0.80 ALDH1A1 (0.42) ALDH1A1SSTR4SMN1; SMN2REN
Hydrochloric Acid SCHEMBL4031709 0.79 SSTR4 (0.44) SSTR4RENSLC6A2SLC6A4
SCHEMBL1662913 0.78 ALDH1A1 (0.40) ALDH1A1SSTR4REN
SCHEMBL7276192 0.78 CTSC (0.41) SSTR4

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-6784295-B2 CARRIED OUT IN THE PRESENCE OF AN INORGANIC BASE OR ORGANIC NITROGEN BASE AND A PALLADIUM COMPLEX CATALYST CONTAINING SECONDARY MONOPHOSPHINES WITH ALIPHATIC, BRANCHED OR CYCLIC SUBSTITUENTS AS LIGANDS SOLVIAS AG (CH) 2004-08-31 US disclosed
US-20030181688-A1 Coupling of nucleophiles, vinyl compounds or CO with water, alcohols or amines to organic compounds INDOLESE ADRIANO (CH) 2003-09-25 US disclosed
EP-1132361-B1 Coupling of nucleophiles, vinyl compounds or CO with water, alcohols or amines to organic compounds SOLVIAS AG (CH) 2003-05-14 EP disclosed
US-6548684-B2 Using monophosphine palladium complex catalyst SOLVIAS AG (SE) 2003-04-15 US disclosed
US-20010037042-A1 Coupling of nucleophiles, vinyl compounds or CO with water, alcohols or amines to organic compounds SOLVIAS AG (CH) 2001-11-01 US disclosed
EP-1132361-A1 Coupling of nucleophiles, vinyl compounds or CO with water, alcohols or amines to organic compounds Solvias AG (CH) 2001-09-12 EP 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-20010037042-A1 Coupling of nucleophiles, vinyl compounds or CO with water, alcohols or amines to organic compounds ADH1C, ALKBH3, PNMT HPGD 1225/4885ALDH1A1 1512/4885MAPT 2841/4885
US-20030181688-A1 Coupling of nucleophiles, vinyl compounds or CO with water, alcohols or amines to organic compounds ADH1C, ALKBH3, PNMT HPGD 1225/4885ALDH1A1 1512/4885MAPT 2841/4885

“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.