SCHEMBL5484701

SCHEMBL5484701

C1=C2C(CCC1)CCNC2Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
SLC22A1 O15245 1/20 0.43
PRCP P42785 1/20 0.43
GBA1 P04062 1/20 0.39
ADRB2 P07550 1/20 0.39
GRIN2B Q13224 1/20 0.38
PLG P00747 2/20 0.37
HDAC8 Q9BY41 2/20 0.37

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
SCHEMBL10657108 0.82 ALDH1A1 (0.40)
SCHEMBL10657113 0.82 ALDH1A1 (0.40)
SCHEMBL2064252 0.82 ALDH1A1 (0.40)
Acetic Acid SCHEMBL10662477 0.79 SMN1; SMN2 (0.40)
Acetic Acid SCHEMBL10665517 0.79 SMN1; SMN2 (0.40)
Acetic Acid SCHEMBL10658610 0.79 SMN1; SMN2 (0.40)
Acetic Acid SCHEMBL10665521 0.79 SMN1; SMN2 (0.40)
SCHEMBL29993676 0.77 POLB (0.42) POLBSLC22A1PRCPGBA1HDAC8
SCHEMBL10939122 0.72 SLC22A1 (0.42) POLBSLC22A1PRCPGBA1ADRB2
SCHEMBL8951753 0.70 ALDH1A1 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104761496-B Synthesis method of dextromethorphan intermediate 华东理工大学 2017-05-24 CN disclosed
CN-104761496-A Synthesis method of dextromethorphan intermediate UNIV EAST CHINA SCIENCE & TECH 2015-07-08 CN disclosed
US-20070281957-A1 Crystalline Forms of Levorphanol MALLINCKRODT INC. (US) 2007-12-06 US disclosed
US-5512577-A Bicyclic hexahydroaporphine and 1-benzyloctahydroisoquinoline therapeutic compositions and processes for utilizing said compositions CREIGHTON UNIVERSITY (US) 1996-04-30 US disclosed
US-5512577-A Bicyclic hexahydroaporphine and 1-benzyloctahydroisoquinoline therapeutic compositions and processes for utilizing said compositions CREIGHTON UNIVERSITY (US) 1996-04-30 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 (1 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-20070281957-A1 Crystalline Forms of Levorphanol OPRL1, OPRK1, AVPR2 POLB 4235/4885SLC22A1 598/4885PRCP 982/4885

“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.