SCHEMBL6712545

SCHEMBL6712545

COc1cccc(N)c1OCCN(C)C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.66
HTR7 P34969 3/20 0.55
SMN1; SMN2 Q16637 1/20 0.53
HTR1B P28222 1/20 0.47
NOS3 P29474 2/20 0.47
NOS1 P29475 2/20 0.47
ADRA2B P18089 1/20 0.44
PTGS1 P23219 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPK1 P28482 1/20 0.44
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
DRD2 P14416 1/20 0.42
DRD1 P21728 1/20 0.42
DRD4 P21917 1/20 0.42
DRD5 P21918 1/20 0.42
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 1/20 0.42
HTR6 P50406 2/20 0.41

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
SCHEMBL7618492 0.88 ALDH1A1 (0.81) ALDH1A1HTR7SMN1; SMN2HTR1BMAPK1
SCHEMBL10633020 0.80 SMN1; SMN2 (0.56) ALDH1A1SMN1; SMN2ADRA2BPTGS1TDP1
SCHEMBL23579204 0.79 HTR7 (0.56) ALDH1A1HTR7HTR1BNOS3NOS1
SCHEMBL29975085 0.79 HTR7 (0.56) ALDH1A1HTR7HTR1BNOS3NOS1
SCHEMBL8068646 0.79 KDM4E (0.49) ALDH1A1HTR7HTR1BKEAP1NFE2L2
SCHEMBL3893843 0.78 HTR7 (0.62) ALDH1A1HTR7SMN1; SMN2HTR1BNOS3
SCHEMBL10353929 0.78 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2ADRA2BPTGS1TDP1
SCHEMBL2820615 0.77 ALDH1A1 (0.65) ALDH1A1HTR7SMN1; SMN2HTR1BMAPK1
SCHEMBL11209770 0.77 ALDH1A1 (0.65) ALDH1A1HTR7SMN1; SMN2HTR1BDRD2
SCHEMBL4703459 0.77 HTR1B (0.54) ALDH1A1HTR7SMN1; SMN2HTR1BNOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230174485-A1 LIPOXYGENASE INHIBITORS SRI INTERNATIONAL (US) 2023-06-08 US disclosed
US-20230174485-A1 LIPOXYGENASE INHIBITORS SRI INTERNATIONAL (US) 2023-06-08 US disclosed
US-20230174485-A1 LIPOXYGENASE INHIBITORS SRI INTERNATIONAL (US) 2023-06-08 US disclosed
EP-4125874-A1 LIPOXYGENASE INHIBITORS SRI International (US) 2023-02-08 EP disclosed
CN-115335046-A Lipoxygenase inhibitors 思研(SRI)国际顾问与咨询公司 2022-11-11 CN disclosed
WO-2021195346-A1 LIPOXYGENASE INHIBITORS SRI INTERNATIONAL (US) 2021-09-30 WO disclosed
WO-2021195346-A1 LIPOXYGENASE INHIBITORS SRI INTERNATIONAL (US) 2021-09-30 WO disclosed
US-20040180917-A1 Novel tricyclic dihydro-quinoline derivatives, method for preparing same and pharmaceutical compositions containing the same HUSSON HENRI-PHILIPPE (FR) 2004-09-16 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-20040180917-A1 Novel tricyclic dihydro-quinoline derivatives, method for preparing same and pharmaceutical compositions containing the same SCN11A, CYP4A11, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 ALDH1A1 1498/4885HTR7 930/4885SMN1; SMN2 4636/4885
US-20230174485-A1 LIPOXYGENASE INHIBITORS ALOX15B, ALOX12, ALOX15 ALDH1A1 133/4885HTR7 2208/4885SMN1; SMN2 1035/4885

“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.