SCHEMBL8779124

SCHEMBL8779124

COc1ccc2c(c1)C(=O)C1(CCCC1)CC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.51
HTR2C P28335 3/20 0.51
HTR2B P41595 3/20 0.51
SIGMAR1 Q99720 3/20 0.51
DRD2 P14416 1/20 0.51
METAP1 P53582 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
MAOB P27338 2/20 0.46
ACHE P22303 1/20 0.44
CYP19A1 P11511 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
MAPK14 Q16539 1/20 0.43
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL14409344 0.94 HTR2A (0.53) HTR2AHTR2CHTR2BSIGMAR1DRD2
SCHEMBL13004977 0.88 SIGMAR1 (0.62) HTR2AHTR2CHTR2BSIGMAR1DRD2
SCHEMBL18815844 0.88 SMN1; SMN2 (0.59) HTR2AHTR2CHTR2BSIGMAR1DRD2
SCHEMBL6799152 0.85 METAP1 (0.49) HTR2AHTR2CHTR2BSIGMAR1DRD2
SCHEMBL27081326 0.85 SMN1; SMN2 (0.59) HTR2AHTR2CHTR2BSIGMAR1DRD2
SCHEMBL6801984 0.84 SIGMAR1 (0.54) HTR2AHTR2CHTR2BSIGMAR1DRD2
SCHEMBL6840757 0.84 SIGMAR1 (0.51) HTR2AHTR2CHTR2BSIGMAR1DRD2
SCHEMBL8778942 0.82 METAP1 (0.44) HTR2CHTR2BSIGMAR1METAP1CYP19A1
SCHEMBL2819403 0.81 SMN1; SMN2 (0.51) METAP1SMN1; SMN2MAOBACHECYP19A1
SCHEMBL11805867 0.81 METAP1 (0.47) HTR2AHTR2CHTR2BSIGMAR1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109071414-B Improved process for the preparation of butorphanol tartrate 海蔻有限公司 2021-11-05 CN disclosed
EP-3436425-B1 AN IMPROVED PROCESS FOR THE PREPARATION OF BUTORPHANOL TARTRATE HIKAL LTD (IN) 2021-01-06 EP disclosed
US-10544101-B2 Process for the preparation of butorphanol tartrate HIKAL LIMITED (IN) 2020-01-28 US disclosed
US-10544101-B2 Process for the preparation of butorphanol tartrate HIKAL LIMITED (IN) 2020-01-28 US disclosed
US-20190112273-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF BUTORPHANOL TARTRATE HIKAL LIMITED (IN) 2019-04-18 US disclosed
US-20190112273-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF BUTORPHANOL TARTRATE HIKAL LIMITED (IN) 2019-04-18 US disclosed
EP-3436425-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF BUTORPHANOL TARTRATE Hikal Limited (IN) 2019-02-06 EP disclosed
WO-2017168444-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF BUTORPHANOL TARTRATE HIKAL LIMITED (IN) 2017-10-05 WO disclosed
EP-0606661-B1 Octahydrophenanthrene derivatives and their use as NMDA-Antagonists HOFFMANN LA ROCHE (CH) 1997-03-12 EP disclosed
US-5385947-A For prevention of nerve damage due to reduction of blood or oxygen supplies HOFFMANN-LA ROCHE INC. (US) 1995-01-31 US disclosed
EP-0606661-A1 Octahydrophenanthrene derivatives and their use as NMDA-Antagonists F. HOFFMANN-LA ROCHE AG (CH) 1994-07-20 EP 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-10544101-B2 Process for the preparation of butorphanol tartrate OPRD1, OPRK1, OPRL1 HTR2A 733/4885HTR2C 414/4885HTR2B 489/4885
US-20190112273-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF BUTORPHANOL TARTRATE OPRD1, OPRL1, OPRK1 HTR2A 563/4885HTR2C 375/4885HTR2B 426/4885

“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.