SCHEMBL10162334

SCHEMBL10162334

c1ccc(N2CCOCC2)c(C2CCNC2)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
ACHE P22303 1/20 0.40
ADRB1 P08588 1/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTR2C P28335 1/20 0.38
HTR1A P08908 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
AKR1C3 P42330 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL27868018 0.91 HTR2C (0.47) DDB1CRBNACHEADRB1LMNA
SCHEMBL27381994 0.83 HTR2C (0.38) HTR2C
SCHEMBL23064481 0.82 ACHE (0.47) DDB1CRBNACHELMNAMEN1
SCHEMBL4420245 0.79 ADRB1 (0.53) ADRB1LMNAMAPTHTR1ASLC6A2
SCHEMBL28291412 0.78 ADRB1 (0.59) ADRB1LMNAHTR2CHTR1ASLC6A2
SCHEMBL15834289 0.76 HTR2C (0.51) ADRB1HTR2CHTR1ASLC6A2SLC6A4
SCHEMBL10163600 0.76 CYP2D6 (0.50) MAPTHTR1ASLC6A2SLC6A4AKR1C3
SCHEMBL18701462 0.75 HTR2C (0.50) ADRB1HTR2CHTR1ASLC6A2SLC6A4
SCHEMBL27747851 0.74 HTT (0.52) LMNAMEN1MAPTKMT2AAKR1C3
SCHEMBL10162461 0.74 HTR3A (0.53) LMNAMEN1NPC1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165320-A1 NOVEL AZABICYCLOHEXANES PANACEA BIOTEC LTD. (IN) 2012-06-28 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-20120165320-A1 NOVEL AZABICYCLOHEXANES CYP3A43, UGT1A1, CYP3A4 DDB1 1907/4885CRBN 4378/4885ACHE 1759/4885

“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.