SCHEMBL1703636

SCHEMBL1703636

O=C1c2ccccc2C(=O)N1CCCCCCCN1CCOCC1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.69
DRD2 P14416 1/20 0.67
HTR6 P50406 1/20 0.67
MEN1 O00255 1/20 0.67
KMT2A Q03164 1/20 0.67
NPSR1 Q6W5P4 1/20 0.67
MAOB P27338 3/20 0.63
LMNA P02545 1/20 0.62

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
SCHEMBL8554700 1.00 HTR1A (0.69) HTR1ADRD2HTR6MEN1KMT2A
SCHEMBL8559799 1.00 HTR1A (0.69) HTR1ADRD2HTR6MEN1KMT2A
SCHEMBL8559706 1.00 HTR1A (0.69) HTR1ADRD2HTR6MEN1KMT2A
SCHEMBL8559095 1.00 HTR1A (0.69) HTR1ADRD2HTR6MEN1KMT2A
SCHEMBL1463660 0.98 HTR1A (0.69) HTR1ADRD2HTR6MEN1KMT2A
SCHEMBL8556091 0.95 HTR1A (0.73) HTR1ADRD2HTR6MEN1KMT2A
SCHEMBL1703893 0.91 MEN1 (0.67) HTR1ADRD2HTR6MEN1KMT2A
SCHEMBL8556230 0.90 GRM5 (0.66) HTR1ADRD2HTR6MEN1KMT2A
Hydrochloric Acid SCHEMBL27657032 0.89 GRM5 (0.64) HTR1ADRD2HTR6MEN1KMT2A
SCHEMBL14028451 0.87 HTR1A (0.79) HTR1ADRD2MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120264755-A1 PYRIDINYL DERIVATIVES AS INHIBITORS OF ENZYME NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE TopoTarget (DE) 2012-10-18 US disclosed
EP-2440527-A1 PYRIDINYL DERIVATIVES AS INHIBITORS OF ENZYME NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE Topo Target A/S (DK) 2012-04-18 EP disclosed
WO-2010142735-A1 PYRIDINYL DERIVATIVES AS INHIBITORS OF ENZYME NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE TOPOTARGET A/S (DK) 2010-12-16 WO disclosed
EP-0575954-B1 Aminoalkylcarbamic esters of eseroline suitable for use as cholinesterase acitivity inhibitors and relative preparation process MEDIOLANUM FARMACEUTICI SRL (IT) 1998-09-02 EP disclosed
US-5424451-A Used as cholinesterase activity inhibitors MEDIOLANUM FARMACEUTICI S.P.A. (IT) 1995-06-13 US disclosed
US-5302593-A Aminoalkylcarbamic esters of eseroline suitable for use as chlorinesterase activity inhibitors MEDIOLANUM FARMACEUTICI S.P.A. (IT) 1994-04-12 US disclosed
EP-0575954-A1 Aminoalkylcarbamic esters of eseroline suitable for use as cholinesterase acitivity inhibitors and relative preparation process MEDIOLANUM FARMACEUTICI S.P.A. (IT) 1993-12-29 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 (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-20120264755-A1 PYRIDINYL DERIVATIVES AS INHIBITORS OF ENZYME NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE NAMPT, NAPRT, NNT HTR1A 1298/4885DRD2 2706/4885HTR6 1059/4885

“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.