SCHEMBL4946970

SCHEMBL4946970

COC1(Oc2ccccc2)COCCN1Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
SIGMAR1 Q99720 5/20 0.42
SMN1; SMN2 Q16637 2/20 0.38
ACP1 P24666 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALOX5 P09917 1/20 0.34
DRD4 P21917 3/20 0.33
HTR1A P08908 2/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
SLC6A3 Q01959 2/20 0.33
TMEM97 Q5BJF2 2/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
RAB9A P51151 1/20 0.33
ADRA2A P08913 1/20 0.33

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
Bromide SCHEMBL6417388 0.99 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDHTTSIGMAR1
Hydrochloric Acid SCHEMBL6416217 0.99 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDHTTSIGMAR1
SCHEMBL4945693 0.87 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDHTTSIGMAR1
Citric Acid SCHEMBL6415789 0.86 SLC13A5 (0.39) ALDH1A1KDM4EHPGDHTTSIGMAR1
SCHEMBL6132960 0.74 JAK2 (0.44) ALDH1A1KDM4EHPGDHTTSIGMAR1
SCHEMBL6133048 0.73 MEN1 (0.39) ALDH1A1KDM4EHPGDHTTSIGMAR1
SCHEMBL6132839 0.71 SIGMAR1 (0.41) ALDH1A1KDM4EHPGDHTTSIGMAR1
SCHEMBL2072649 0.70 ALDH1A1 (0.40) ALDH1A1KDM4EHTTSMN1; SMN2NPC1
SCHEMBL6133227 0.70 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDHTTSIGMAR1
SCHEMBL2770419 0.69 MCHR1 (0.42) ALDH1A1KDM4EHPGDHTTSIGMAR1

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-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

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-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 ALDH1A1 758/4885KDM4E 391/4885HPGD 3664/4885

“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.