SCHEMBL10198692

SCHEMBL10198692

CCCN1CC[C@H](N(C)C)C1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.43
HRH3 Q9Y5N1 4/20 0.43
HRH2 P25021 1/20 0.43
HRH1 P35367 1/20 0.43
MEN1 O00255 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
DRD2 P14416 3/20 0.39
DRD3 P35462 2/20 0.39
DRD1 P21728 1/20 0.39
DRD4 P21917 1/20 0.39
DRD5 P21918 1/20 0.39

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
SCHEMBL13462578 1.00 KDM1A (0.43) KDM1AHRH3HRH2HRH1MEN1
SCHEMBL12155274 1.00 KDM1A (0.43) KDM1AHRH3HRH2HRH1MEN1
SCHEMBL13472608 0.88 HRH3 (0.47) KDM1AHRH3HRH2HRH1DRD2
SCHEMBL16511589 0.88 HRH3 (0.47) KDM1AHRH3HRH2HRH1DRD2
SCHEMBL10223659 0.87 DRD2 (0.44) MEN1RAB9AKMT2ADRD2
SCHEMBL23219727 0.85 GNAO1 (0.51) HRH3HRH2HRH1
SCHEMBL24316250 0.84 NOS3 (0.38) HRH3MEN1RAB9AKMT2ADRD2
SCHEMBL734698 0.83 HRH3 (0.41) KDM1AHRH3HRH2HRH1
SCHEMBL684126 0.83 HRH3 (0.41) KDM1AHRH3HRH2HRH1
SCHEMBL8434577 0.83 HRH3 (0.41) KDM1AHRH3HRH2HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015089481-A2 METHODS TO TREAT LYMPHOPLASMACYTIC LYMPHOMA DANA-FARBER CANCER INSTITUTE, INC. (US) 2015-06-18 WO disclosed
US-20120115819-A1 Pentacycline Compounds TETRAPHASE PHARMACEUTICALS, INC. 2012-05-10 US disclosed
US-7897778-B2 Benzamide compounds ASTRAZENECA (SE) 2011-03-01 US disclosed
US-20080293687-A1 Benzamide Compounds ASTRAZENECA AB (SE) 2008-11-27 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-20120115819-A1 Pentacycline Compounds TSLP, IL5, IL17A KDM1A 3577/4885HRH3 3903/4885HRH2 2539/4885
US-20080293687-A1 Benzamide Compounds HDAC1, HDAC11, HDAC2 KDM1A 57/4885HRH3 59/4885HRH2 114/4885

“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.