SCHEMBL20073128

SCHEMBL20073128

CCO[C@@H]1CCCC1N(C)C

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.45
ALDH1A1 P00352 2/20 0.36
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
OPRK1 P41145 2/20 0.33
OPRD1 P41143 1/20 0.33

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
SCHEMBL29490161 0.78 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2
SCHEMBL20995934 0.78 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2
SCHEMBL13407243 0.77 ALDH1A1 (0.34) OPRM1ALDH1A1SMN1; SMN2OPRK1OPRD1
SCHEMBL13407297 0.77 ALDH1A1 (0.34) OPRM1ALDH1A1SMN1; SMN2OPRK1OPRD1
SCHEMBL13266563 0.77 ALDH1A1 (0.34) OPRM1ALDH1A1SMN1; SMN2OPRK1OPRD1
SCHEMBL13407356 0.77 ALDH1A1 (0.34) OPRM1ALDH1A1SMN1; SMN2OPRK1OPRD1
SCHEMBL12212559 0.75 PKM (0.38) OPRM1ALDH1A1PKM
SCHEMBL18834876 0.75 PKM (0.38) OPRM1ALDH1A1PKM
SCHEMBL22970027 0.75 PKM (0.38) OPRM1ALDH1A1PKM
SCHEMBL20096125 0.75 PKM (0.38) OPRM1ALDH1A1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10457654-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2019-10-29 US disclosed
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-04-19 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-10457654-B2 Therapeutic compounds and methods of use thereof NPY5R, REN, F12 OPRM1 476/4885ALDH1A1 2867/4885PKM 2488/4885
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 OPRM1 482/4885ALDH1A1 3058/4885PKM 2407/4885

“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.