SCHEMBL3586961

SCHEMBL3586961

[CH2]N1CCN(c2cccc(OC)n2)CC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 2/20 0.50
OGA O60502 1/20 0.49
HRH3 Q9Y5N1 1/20 0.48
ALOX5 P09917 2/20 0.48
HTR1A P08908 2/20 0.46
HTR2A P28223 2/20 0.46
DRD3 P35462 2/20 0.46
HTR3E A5X5Y0 3/20 0.44
HTR3B O95264 3/20 0.44
HTR3A P46098 3/20 0.44
HTR3D Q70Z44 3/20 0.44
HTR3C Q8WXA8 3/20 0.44
HTR2C P28335 1/20 0.43
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
ACACB O00763 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
LCAT P04180 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
SCHEMBL1275290 0.85 HTR3A (0.62) OGAHRH3ALOX5HTR1AHTR2A
SCHEMBL22547430 0.84 ALOX5 (0.51) PHGDHOGAHRH3ALOX5HTR1A
SCHEMBL6529664 0.84 ALOX5 (0.51) PHGDHOGAHRH3ALOX5HTR1A
SCHEMBL3934891 0.83 HRH3 (0.55) PHGDHOGAHRH3ALOX5HTR1A
SCHEMBL30770805 0.83 ALOX5 (0.50) PHGDHOGAHRH3ALOX5HTR1A
SCHEMBL3916764 0.81 ALOX5 (0.52) PHGDHOGAHRH3ALOX5HTR1A
SCHEMBL15725480 0.81 HRH3 (0.65) PHGDHOGAHRH3ALOX5HTR1A
SCHEMBL14083328 0.81 OGA (0.47) PHGDHOGAHRH3ALOX5HTR1A
SCHEMBL13706046 0.80 CYP2C19 (0.58) OGAHRH3ALOX5HTR1AHTR2A
SCHEMBL2412819 0.80 HTR3E (0.58) OGAHRH3ALOX5HTR1ADRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2013-08-15 US claimed
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2010-09-16 US claimed
US-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2013-08-15 US disclosed
US-8431607-B2 Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2013-04-30 US disclosed
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2010-09-16 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-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH PHGDH 3389/4885OGA 1301/4885HRH3 412/4885
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH PHGDH 3389/4885OGA 1301/4885HRH3 412/4885

“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.