SCHEMBL4945693

SCHEMBL4945693

CCOC1(Oc2ccccc2)COCCN1Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 4/20 0.40
HTT P42858 2/20 0.40
HPGD P15428 1/20 0.40
SIGMAR1 Q99720 4/20 0.37
TDP1 Q9NUW8 1/20 0.35
HTR1A P08908 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTR1B P28222 1/20 0.34
HTR2A P28223 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
NPC1 O15118 2/20 0.33
TP53 P04637 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
OPRM1 P35372 1/20 0.32
KCNH2 Q12809 1/20 0.32
LTA4H P09960 1/20 0.32
DRD2 P14416 1/20 0.32

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
SCHEMBL4946970 0.87 ALDH1A1 (0.42) ALDH1A1KDM4EHTTHPGDSIGMAR1
Bromide SCHEMBL6417388 0.86 ALDH1A1 (0.41) ALDH1A1KDM4EHTTHPGDSIGMAR1
Hydrochloric Acid SCHEMBL6416217 0.86 ALDH1A1 (0.41) ALDH1A1KDM4EHTTHPGDSIGMAR1
Citric Acid SCHEMBL6415789 0.75 SLC13A5 (0.39) ALDH1A1KDM4EHTTHPGDSIGMAR1
SCHEMBL6132960 0.72 JAK2 (0.44) ALDH1A1KDM4EHTTHPGDSIGMAR1
SCHEMBL16673137 0.72 SIGMAR1 (0.38) ALDH1A1KDM4EHTTHPGDSIGMAR1
SCHEMBL3129167 0.69 ALDH1A1 (0.36) ALDH1A1KDM4EHTTHPGDTDP1
SCHEMBL6132839 0.69 SIGMAR1 (0.41) ALDH1A1KDM4EHTTHPGDSIGMAR1
SCHEMBL6133048 0.69 MEN1 (0.39) ALDH1A1KDM4EHTTHPGDSIGMAR1
SCHEMBL6133227 0.68 ALDH1A1 (0.39) ALDH1A1KDM4EHTTHPGDSIGMAR1

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 2 patents. 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
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 (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-20050250775-A1 Novel compounds OPRL1, UGT1A1, NPSR1 ALDH1A1 275/4885KDM4E 1905/4885HTT 841/4885
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 ALDH1A1 758/4885KDM4E 391/4885HTT 1789/4885

“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.