SCHEMBL10045192

SCHEMBL10045192

CCNCCCNCCCNCCCNCc1cccc(-c2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.51
HTR1A P08908 1/20 0.50
MAOA P21397 1/20 0.49
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C19 P33261 2/20 0.47
SCN8A Q9UQD0 2/20 0.45
SIGMAR1 Q99720 3/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
VSIR Q9H7M9 1/20 0.44
HRH4 Q9H3N8 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44

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
SCHEMBL10045189 0.92 CHRM2 (0.60) CHRM2HTR1AMAOASIGMAR1MEN1
SCHEMBL10045187 0.90 CHRM2 (0.63) CHRM2HTR1AMAOACYP1A2CYP2D6
SCHEMBL11410766 0.87 PRMT6 (0.50) HTR1AMAOAMEN1KMT2ATDP1
SCHEMBL10045144 0.85 CHRM2 (0.70) CHRM2MAOACYP1A2CYP2C19SCN8A
SCHEMBL29864521 0.84 CYP1A2 (0.64) CHRM2HTR1AMAOACYP1A2CYP2D6
SCHEMBL16436975 0.81 CYP1A2 (0.54) CHRM2HTR1AMAOACYP1A2CYP2D6
SCHEMBL16264591 0.80 CHRM2 (0.63) CHRM2MAOASIGMAR1MEN1KMT2A
SCHEMBL16869725 0.79 MAOA (0.76) CHRM2MAOASCN8ASIGMAR1MEN1
SCHEMBL16264589 0.79 HRH4 (0.53) CHRM2HTR1AMAOACYP1A2CYP2D6
SCHEMBL16436983 0.79 CYP1A2 (0.61) CHRM2MAOACYP1A2CYP2D6CYP2C19

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-8148577-B2 Polyamines useful as anti-parasitic and anti-cancer therapeutics and as lysine-specific demethylase inhibitors THE JOHNS HOPKINS UNIVERSITY (US) 2012-04-03 US disclosed
US-8148577-B2 Polyamines useful as anti-parasitic and anti-cancer therapeutics and as lysine-specific demethylase inhibitors THE JOHNS HOPKINS UNIVERSITY (US) 2012-04-03 US disclosed
US-20100273745-A1 POLYAMINES USEFUL AS ANTI-PARASITIC AND ANTI-CANCER THERAPEUTICS AND AS LYSINE-SPECIFIC DEMETHYLASE INHIBITORS THE JOHNS HOPKINS UNIVERSITY (US) 2010-10-28 US disclosed
US-20100273745-A1 POLYAMINES USEFUL AS ANTI-PARASITIC AND ANTI-CANCER THERAPEUTICS AND AS LYSINE-SPECIFIC DEMETHYLASE INHIBITORS THE JOHNS HOPKINS UNIVERSITY (US) 2010-10-28 US disclosed
US-20070208082-A1 POLYAMINES USEFUL AS ANTI-PARASITIC AND ANTI-CANCER THERAPEUTICS AND AS LYSINE-SPECIFIC DEMETHYLASE INHIBITORS JOHN HOPKINS UNIVERSITY (US) 2007-09-06 US disclosed
US-20070208082-A1 POLYAMINES USEFUL AS ANTI-PARASITIC AND ANTI-CANCER THERAPEUTICS AND AS LYSINE-SPECIFIC DEMETHYLASE INHIBITORS JOHN HOPKINS UNIVERSITY (US) 2007-09-06 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 (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-20070208082-A1 POLYAMINES USEFUL AS ANTI-PARASITIC AND ANTI-CANCER THERAPEUTICS AND AS LYSINE-SPECIFIC DEMETHYLASE INHIBITORS KDM1A, JMJD6, SRM CHRM2 3888/4885HTR1A 3437/4885MAOA 989/4885
US-20100273745-A1 POLYAMINES USEFUL AS ANTI-PARASITIC AND ANTI-CANCER THERAPEUTICS AND AS LYSINE-SPECIFIC DEMETHYLASE INHIBITORS KDM1A, JMJD6, SRM CHRM2 3888/4885HTR1A 3437/4885MAOA 989/4885

“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.