SCHEMBL19630730

SCHEMBL19630730

CCOC(=O)Cc1csc2ccc(OC)cc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.57
MTNR1B P49286 4/20 0.57
MAPT P10636 5/20 0.47
ALDH1A1 P00352 4/20 0.47
HPGD P15428 4/20 0.47
GAA P10253 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
CYP19A1 P11511 1/20 0.46
MAOB P27338 1/20 0.46
KDM4E B2RXH2 3/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
MAPK1 P28482 2/20 0.44
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL1471065 0.91 MTNR1A (0.46) MTNR1AMTNR1BMAPTALDH1A1HPGD
SCHEMBL19627156 0.85 CA2 (0.49) MTNR1AMTNR1BMAPTKEAP1NFE2L2
SCHEMBL8884503 0.83 KEAP1 (0.62) MTNR1AMTNR1BKDM4EKEAP1NFE2L2
SCHEMBL28566065 0.83 CYP2A6 (0.52) MAPTALDH1A1GAAKDM4EMAPK1
SCHEMBL8605002 0.83 MTNR1A (0.55) MTNR1AMTNR1BMAPTCYP3A4CYP2C9
SCHEMBL31164737 0.83 MTNR1A (0.54) MTNR1AMTNR1BMAPTALDH1A1HPGD
SCHEMBL10982992 0.83 MTNR1A (0.54) MTNR1AMTNR1BMAPTALDH1A1HPGD
SCHEMBL31425881 0.83 CYP2A6 (0.52) MAPTALDH1A1GAAKDM4EMAPK1
SCHEMBL28566073 0.83 KEAP1 (0.66) MAPTKEAP1NFE2L2
SCHEMBL28559146 0.82 MTNR1A (0.61) MTNR1AMTNR1BMAPK1KEAP1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11840541-B2 Opioid receptor modulators THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-12-12 US disclosed
US-20230271976-A1 OPIOID RECEPTOR MODULATORS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-08-31 US disclosed
CN-108264509-B Substituted benzothieno [2,3-c ] tetrahydropyridine derivatives, preparation method and application thereof 复旦大学 2021-05-04 CN disclosed
US-20170334923-A1 OPIOID RECEPTOR MODULATORS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-11-23 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-20170334923-A1 OPIOID RECEPTOR MODULATORS OPRM1, OPRL1, OPRD1 MTNR1A 245/4885MTNR1B 326/4885MAPT 4252/4885
US-20230271976-A1 OPIOID RECEPTOR MODULATORS OPRM1, OPRL1, OPRD1 MTNR1A 233/4885MTNR1B 261/4885MAPT 3739/4885
US-11840541-B2 Opioid receptor modulators OPRM1, OPRL1, OPRD1 MTNR1A 245/4885MTNR1B 326/4885MAPT 4252/4885

“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.