SCHEMBL13634382

SCHEMBL13634382

Cc1cc(C2CN(C)CCO2)ccc1N

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 10/20 0.48
BRD4 O60885 2/20 0.40
CYP2D6 P10635 3/20 0.39
SLC6A2 P23975 3/20 0.39
SLC6A4 P31645 3/20 0.39
SLC6A3 Q01959 3/20 0.39
KCNH2 Q12809 1/20 0.39
CHRM2 P08172 1/20 0.35
HTR1A P08908 1/20 0.35
HTR2B P41595 1/20 0.35
CHEK1 O14757 1/20 0.35

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
SCHEMBL16451476 0.87 DRD3 (0.47) DRD3BRD4CYP2D6SLC6A2SLC6A4
SCHEMBL12609669 0.80 DRD3 (0.44) DRD3
SCHEMBL12609797 0.80 DRD3 (0.44) DRD3
SCHEMBL14151172 0.80 DRD3 (0.44) DRD3
SCHEMBL14684802 0.80 DRD3 (0.44) DRD3CYP2D6SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL2387059 0.78 DRD3 (0.43) DRD3CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL10747371 0.78 PDE10A (0.46) DRD3CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL13634423 0.77 ALDH1A1 (0.43) BRD4
SCHEMBL13163980 0.77 DRD3 (0.46) DRD3CHEK1
SCHEMBL2298311 0.76 DRD3 (0.41) DRD3BRD4CYP2D6SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181230-B2 Morpholine compounds and uses thereof HOFFMANN-LA ROCHE INC. (US) 2015-11-10 US disclosed
US-20150045359-A1 MORPHOLINE COMPOUNDS AND USES THEREOF HOFFMANN-LA ROCHE INC. (US) 2015-02-12 US disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 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 (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-20150045359-A1 MORPHOLINE COMPOUNDS AND USES THEREOF TAAR1, TAAR5, AGTR1 DRD3 2259/4885BRD4 1348/4885CYP2D6 721/4885

“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.