SCHEMBL19658451

SCHEMBL19658451

CC(=O)NCCC1CCN(C(=O)OCc2ccccc2)C1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
GRIN2B Q13224 9/20 0.53
HTT P42858 1/20 0.53
CYP2C19 P33261 1/20 0.52
CYP2D6 P10635 4/20 0.52
CYP2C9 P11712 4/20 0.52
CYP3A4 P08684 3/20 0.49
TPSAB1 Q15661 2/20 0.47
TPSD1 Q9BZJ3 2/20 0.47
TPSG1 Q9NRR2 2/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
FAAH O00519 1/20 0.46
LTA4H P09960 1/20 0.46
EPHX2 P34913 1/20 0.46

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
SCHEMBL8764844 0.93 HTT (0.60) SMN1; SMN2NPC1RAB9AGRIN2BHTT
SCHEMBL19652100 0.88 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AGRIN2BHTT
SCHEMBL9144556 0.86 HTT (0.51) SMN1; SMN2NPC1RAB9AGRIN2BHTT
SCHEMBL19658635 0.85 BCHE (0.49) SMN1; SMN2NPC1RAB9AGRIN2BHTT
SCHEMBL19221832 0.83 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AGRIN2BHTT
SCHEMBL5768608 0.83 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AGRIN2BHTT
SCHEMBL20187093 0.82 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9AGRIN2BHTT
SCHEMBL3652558 0.82 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AGRIN2BHTT
SCHEMBL19063606 0.82 KDM4E (0.53) SMN1; SMN2NPC1RAB9AHTTTPSAB1
SCHEMBL30990345 0.82 KDM4E (0.53) SMN1; SMN2NPC1RAB9AHTTTPSAB1

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-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 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-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 SMN1; SMN2 1221/4885NPC1 1229/4885RAB9A 1828/4885

“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.