SCHEMBL20134649

SCHEMBL20134649

CN1CCN(c2ccc(OCCN3CCC(N)CC3)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.59
HRH3 Q9Y5N1 4/20 0.59
HRH1 P35367 3/20 0.51
HRH2 P25021 2/20 0.51
LTA4H P09960 3/20 0.50
SIGMAR1 Q99720 2/20 0.50
KCNH2 Q12809 1/20 0.50
DDB1 Q16531 1/20 0.47
CRBN Q96SW2 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
HTR1A P08908 1/20 0.47
DRD2 P14416 1/20 0.47
HTR2A P28223 1/20 0.47
DRD3 P35462 1/20 0.47
TMEM97 Q5BJF2 1/20 0.47
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46

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
SCHEMBL21659428 0.88 HRH3 (0.68) KDM1AHRH3HRH1LTA4HSIGMAR1
SCHEMBL22066512 0.87 HRH3 (0.67) KDM1AHRH3HRH1HRH2LTA4H
SCHEMBL21659763 0.85 HRH3 (0.77) HRH3LTA4HKCNH2
SCHEMBL19048026 0.85 KDM1A (0.63) KDM1AHRH3HRH1HRH2LTA4H
SCHEMBL19048182 0.81 KDM1A (0.59) KDM1AHRH3HRH1LTA4HSIGMAR1
SCHEMBL21659290 0.81 HRH3 (0.79) HRH3HRH1HRH2SIGMAR1KCNH2
SCHEMBL19047571 0.81 HRH3 (0.68) KDM1AHRH3HRH1HRH2LTA4H
SCHEMBL21659281 0.79 HRH3 (0.56) KDM1AHRH3HRH1LTA4HSIGMAR1
SCHEMBL23593945 0.78 ACACB (0.47) HRH3HRH1HRH2LTA4HKCNH2
SCHEMBL5568576 0.78 LTA4H (0.65) HRH3HRH1HRH2LTA4HSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10233152-B2 LSD1 inhibitors Mirati Therapeutics, Inc. (US) 2019-03-19 US disclosed
US-20180127369-A1 LSD1 Inhibitors Mirati Therapeutics, Inc. 2018-05-10 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-10233152-B2 LSD1 inhibitors KDM1B, KDM1A, KDM3A KDM1A 2/4885HRH3 1343/4885HRH1 2699/4885
US-20180127369-A1 LSD1 Inhibitors KDM1B, KDM1A, KDM3A KDM1A 2/4885HRH3 1343/4885HRH1 2699/4885

“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.