SCHEMBL21907015

SCHEMBL21907015

CC(C)N[C@H]1CCCC[C@@H]1N(C)C1CN(C(=O)C(C)C)C1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.44
CHRNB2 P17787 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
CHRNB3 Q05901 1/20 0.38
CHRNA6 Q15825 1/20 0.38
DPP4 P27487 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
DPP8 Q6V1X1 1/20 0.30
NPY5R Q15761 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
SCHEMBL20063482 0.88 SCN9A (0.44) SCN9ACHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL20063485 0.82 SCN9A (0.46) SCN9AMEN1KMT2ASMN1; SMN2
SCHEMBL20095914 0.79 CHRNB2 (0.44) SCN9ACHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL20063440 0.78 PIM1 (0.33)
SCHEMBL24260145 0.75 TAS1R3 (0.34) DPP4MEN1KMT2ASMN1; SMN2
SCHEMBL20063436 0.74 SCN9A (0.35) SCN9A
SCHEMBL20072753 0.73 SCN9A (0.33) SCN9ADPP4MEN1KMT2ASMN1; SMN2
SCHEMBL24260113 0.73 SCN9A (0.33) SCN9ADPP4MEN1KMT2ASMN1; SMN2
SCHEMBL20063442 0.72 SCN9A (0.41) SCN9A
SCHEMBL20063404 0.72 PIM1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200115354-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2020-04-16 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-20200115354-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 SCN9A 1478/4885CHRNB2 3015/4885CHRNA3 2430/4885

“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.