SCHEMBL3329614

SCHEMBL3329614

COc1cc(Cl)ccc1Oc1c(C[C@H]2CNCCO2)cccc1OC

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 16/20 0.48
SLC6A4 P31645 15/20 0.48
SLC6A3 Q01959 11/20 0.48
KCNH2 Q12809 2/20 0.48
HRH1 P35367 1/20 0.48
ADRA2C P18825 1/20 0.47
EPHA2 P29317 2/20 0.43
ADRB2 P07550 1/20 0.40
HTR1A P08908 1/20 0.40
HTR2A P28223 1/20 0.40
ADRA1A P35348 1/20 0.40
HTR2B P41595 1/20 0.40
CYP2D6 P10635 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
SCHEMBL5185168 0.90 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3KCNH2HRH1
SCHEMBL5184651 0.90 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3KCNH2HRH1
Bromide SCHEMBL5183718 0.89 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3KCNH2HRH1
SCHEMBL3327849 0.89 ADRA2C (0.51) SLC6A2SLC6A4SLC6A3HRH1ADRA2C
SCHEMBL3328204 0.89 ADRA2C (0.48) SLC6A2SLC6A4SLC6A3HRH1ADRA2C
Hydrochloric Acid SCHEMBL3333935 0.89 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3KCNH2HRH1
Hydrochloric Acid SCHEMBL5183348 0.88 ADRA2C (0.47) SLC6A2SLC6A4SLC6A3HRH1ADRA2C
Hydrochloric Acid SCHEMBL5184649 0.88 ADRA2C (0.50) SLC6A2SLC6A4SLC6A3HRH1ADRA2C
SCHEMBL5184692 0.86 ADRA2C (0.46) SLC6A2SLC6A4SLC6A3HRH1ADRA2C
Hydrochloric Acid SCHEMBL3329665 0.85 ADRA2C (0.45) SLC6A2SLC6A4SLC6A3HRH1ADRA2C

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-20100137316-A1 Morpholine Compounds, Pharmaceutically Acceptable Salts Thereof, Pharmaceutical Compositions, and Methods Of Use Thereof FISH PAUL VINCENT 2010-06-03 US disclosed
US-20080161309-A1 (2S)-2-[(1S)-(4-chloro-2-methoxyphenoxy)(pyridin-2-yl)methyl]morpholine; neuropathic pain, inflammatory pain, musculo-skeletal pain, central pain, heart and vascular pain, visceral pain, head pain or orofacial pain FISH PAUL VINCENT 2008-07-03 US disclosed
US-20050250775-A1 Novel compounds FISH PAUL V 2005-11-10 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 (3 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-20050250775-A1 Novel compounds OPRL1, UGT1A1, NPSR1 SLC6A2 133/4885SLC6A4 114/4885SLC6A3 104/4885
US-20080161309-A1 (2S)-2-[(1S)-(4-chloro-2-methoxyphenoxy)(pyridin-2-yl)methyl]morpholine; neuropathic pain, inflammatory pain, musculo-skeletal pain, central pain, heart and vascular pain, visceral pain, head pain or orofacial pain OPRL1, MYLK2, TNNT2 SLC6A2 201/4885SLC6A4 350/4885SLC6A3 729/4885
US-20100137316-A1 Morpholine Compounds, Pharmaceutically Acceptable Salts Thereof, Pharmaceutical Compositions, and Methods Of Use Thereof OPRL1, UGT1A1, HTR3B SLC6A2 109/4885SLC6A4 113/4885SLC6A3 98/4885

“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.