SCHEMBL3328204

SCHEMBL3328204

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA2C P18825 1/20 0.48
▸ SLC6A2 P23975 13/20 0.42
▸ SLC6A4 P31645 10/20 0.42
▸ SLC6A3 Q01959 5/20 0.41
▸ HTR2A P28223 2/20 0.41
▸ HTR2B P41595 2/20 0.41
▸ ADRB2 P07550 1/20 0.41
▸ HTR1A P08908 1/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CRHBP P24387 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39
▸ HRH1 P35367 2/20 0.38
▸ MKNK1 Q9BUB5 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37

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
Hydrochloric Acid SCHEMBL5183348 0.99 ADRA2C (0.47) ADRA2CSLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL3327849 0.90 ADRA2C (0.51) ADRA2CSLC6A2SLC6A4SLC6A3HTR2A
Hydrochloric Acid SCHEMBL5184649 0.89 ADRA2C (0.50) ADRA2CSLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL3329614 0.89 SLC6A2 (0.48) ADRA2CSLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL5184692 0.85 ADRA2C (0.46) ADRA2CSLC6A2SLC6A4SLC6A3HTR2A
Hydrochloric Acid SCHEMBL3329665 0.84 ADRA2C (0.45) ADRA2CSLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL5184207 0.84 ADRA2C (0.49) ADRA2CSLC6A2SLC6A4SLC6A3HTR2A
Hydrochloric Acid SCHEMBL3328333 0.82 ADRA2C (0.45) ADRA2CSLC6A2SLC6A4SLC6A3HTR2A
Hydrochloric Acid SCHEMBL3329410 0.80 ADRA2C (0.47) ADRA2CSLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL1552471 0.78 ADRA2C (0.67) ADRA2CSLC6A2SLC6A4SLC6A3HTR2A

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 ADRA2C 66/4885SLC6A2 133/4885SLC6A4 114/4885
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 ADRA2C 54/4885SLC6A2 201/4885SLC6A4 350/4885
US-20100137316-A1 Morpholine Compounds, Pharmaceutically Acceptable Salts Thereof, Pharmaceutical Compositions, and Methods Of Use Thereof OPRL1, UGT1A1, HTR3B ADRA2C 43/4885SLC6A2 109/4885SLC6A4 113/4885

“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.

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