SCHEMBL21286614

SCHEMBL21286614

CC[C@](COCc1cc(OC)c(OC)c(OC)c1)(c1cc#ccc1)N(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 2/20 0.44
▸ OPRD1 P41143 2/20 0.44
▸ NR1I2 O75469 1/20 0.44
▸ CHRM2 P08172 1/20 0.44
▸ ADORA3 P0DMS8 1/20 0.44
▸ ADRA2B P18089 1/20 0.44
▸ SLC6A4 P31645 1/20 0.44
▸ OPRK1 P41145 1/20 0.44
▸ CHRNA4 P43681 1/20 0.44
▸ SLC6A3 Q01959 1/20 0.44
▸ PDE4D Q08499 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 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
Fedotozine SCHEMBL6418832 0.82 OPRM1 (0.63) OPRM1OPRD1NR1I2CHRM2ADORA3
Fedotozine SCHEMBL154629 0.82 OPRM1 (0.63) OPRM1OPRD1NR1I2CHRM2ADORA3
Fedotozine SCHEMBL1649900 0.82 OPRM1 (0.63) OPRM1OPRD1NR1I2CHRM2ADORA3
SCHEMBL9832151 0.80 OPRM1 (0.46) OPRM1OPRD1NR1I2CHRM2ADORA3
Fedotozine SCHEMBL11137933 0.75 ALDH1A1 (0.71) OPRM1OPRD1NR1I2CHRM2ADORA3
Fedotozine SCHEMBL11137984 0.75 ALDH1A1 (0.71) OPRM1OPRD1NR1I2CHRM2ADORA3
Fedotozine SCHEMBL9191830 0.74 OPRM1 (0.61) OPRM1OPRD1NR1I2CHRM2ADORA3
Fedotozine SCHEMBL9403100 0.74 OPRM1 (0.61) OPRM1OPRD1NR1I2CHRM2ADORA3
SCHEMBL9832363 0.74 OPRM1 (0.43) OPRM1OPRD1NR1I2CHRM2ADORA3
SCHEMBL11389394 0.73 OPRM1 (0.51) OPRM1OPRD1NR1I2CHRM2ADORA3

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-20220125781-A1 Methods and Compositions for Treating Vasomotor Symptoms UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION 2022-04-28 — — US disclosed
US-11083726-B2 Methods and compositions for treating vasomotor symptoms UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2021-08-10 — — US disclosed
US-20210030745-A9 Methods and Compositions for Treating Vasomotor Symptoms ACER THERAPEUTICS INC. 2021-02-04 — — US disclosed
US-20190255037-A1 Methods and Compositions for Treating Vasomotor Symptoms UNIV WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2019-08-22 — — 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 (4 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-20210030745-A9 Methods and Compositions for Treating Vasomotor Symptoms VASP, PDE3A, PDE2A OPRM1 814/4885OPRD1 1577/4885NR1I2 3866/4885
US-20190255037-A1 Methods and Compositions for Treating Vasomotor Symptoms VASP, PDE3A, PDE2A OPRM1 814/4885OPRD1 1577/4885NR1I2 3866/4885
US-11083726-B2 Methods and compositions for treating vasomotor symptoms VASP, PDE3A, PDE2A OPRM1 814/4885OPRD1 1577/4885NR1I2 3866/4885
US-20220125781-A1 Methods and Compositions for Treating Vasomotor Symptoms VASP, PDE3A, PDE2A OPRM1 814/4885OPRD1 1577/4885NR1I2 3866/4885

“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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