SCHEMBL20073130

SCHEMBL20073130

CN[C@H]1CCCC[C@@H]1N(C)C(=O)[C@H]1CCN(C)C1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.43
PKM P14618 2/20 0.33
CNR2 P34972 1/20 0.33
BCHE P06276 3/20 0.33
CCR5 P51681 1/20 0.32
OPRK1 P41145 2/20 0.32
ALDH1A1 P00352 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL20096278 1.00 SCN9A (0.43) SCN9APKMCNR2BCHECCR5
SCHEMBL20063434 0.86 SCN9A (0.42) SCN9APKMCNR2BCHECCR5
SCHEMBL20063427 0.85 SCN9A (0.43) SCN9APKMCNR2BCHECCR5
SCHEMBL4781528 0.76 CCR5 (0.47) PKMBCHECCR5ALDH1A1KMT2A
SCHEMBL20096230 0.76 CCR5 (0.47) PKMBCHECCR5ALDH1A1KMT2A
SCHEMBL20096210 0.76 CCR5 (0.47) PKMBCHECCR5ALDH1A1KMT2A
SCHEMBL20072938 0.76 SCN9A (0.40) SCN9ACCR5MEN1KMT2ASMN1; SMN2
SCHEMBL20096287 0.76 SCN9A (0.42) SCN9AOPRK1
SCHEMBL20063416 0.75 SCN9A (0.41) SCN9ACCR5
SCHEMBL20095512 0.75 SCN9A (0.35) SCN9APKMCNR2BCHECCR5

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 SCN9A 1478/4885PKM 2488/4885CNR2 296/4885
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 SCN9A 1501/4885PKM 2407/4885CNR2 300/4885

“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.