SCHEMBL3665681

SCHEMBL3665681

O=CN(O)C1CCc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.45
MAOB P27338 2/20 0.45
PDPK1 O15530 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ALDH1A1 P00352 1/20 0.41
XBP1 P17861 1/20 0.41
HTT P42858 1/20 0.41
PER2 O15055 1/20 0.40
CRY1 Q16526 1/20 0.40
CRY2 Q49AN0 1/20 0.40
RAB9A P51151 1/20 0.40
IDO1 P14902 2/20 0.40
PIN1 Q13526 1/20 0.40
ACP3 P15309 1/20 0.40
SLC18A3 Q16572 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
SCHEMBL14871532 0.79 MAOA (0.53) MAOAMAOBPDPK1TRPM8ALDH1A1
SCHEMBL1665427 0.76 TRPM8 (0.49) MAOAMAOBTRPM8ALDH1A1XBP1
SCHEMBL3665679 0.76 MAOA (0.49) MAOAMAOBPDPK1TRPM8CA1
SCHEMBL9198690 0.75 TRPM8 (0.51) MAOAMAOBTRPM8
SCHEMBL9201774 0.75 MAOA (0.48) MAOAMAOBPDPK1TRPM8ALDH1A1
SCHEMBL7121417 0.72 MAOA (0.49) MAOAMAOBPDPK1TRPM8ALDH1A1
SCHEMBL14839856 0.72 MAOA (0.63) MAOAMAOBALDH1A1XBP1HTT
SCHEMBL14841700 0.72 MAOA (0.63) MAOAMAOBALDH1A1XBP1HTT
SCHEMBL16356395 0.72 MAOA (0.60) MAOAMAOBPDPK1ALDH1A1XBP1
SCHEMBL17571693 0.72 MAOA (0.60) MAOAMAOBPDPK1ALDH1A1XBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9487494-B2 Cyclic hydrocarbon compounds for the treatment of diseases LEO PHARMA A/S (DK) 2016-11-08 US claimed
US-20100317582-A1 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-12-16 US claimed
EP-2234961-A2 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-10-06 EP claimed
WO-2009065406-A2 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2009-05-28 WO claimed
US-9487494-B2 Cyclic hydrocarbon compounds for the treatment of diseases LEO PHARMA A/S (DK) 2016-11-08 US disclosed
US-20100317582-A1 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-12-16 US disclosed
EP-2234961-A2 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-10-06 EP disclosed
WO-2009065406-A2 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2009-05-28 WO 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-20100317582-A1 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES ARNT, AHR, CYP27A1 MAOA 1373/4885MAOB 1255/4885PDPK1 3156/4885

“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.