SCHEMBL1674871

SCHEMBL1674871

Cc1ccccc1C(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 6/20 0.65
CHRM1 P11229 4/20 0.59
PARP1 P09874 2/20 0.58
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
CHRM2 P08172 1/20 0.55
CHRM5 P08912 1/20 0.55
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
HDAC4 P56524 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
GABRA5 P31644 1/20 0.50
PBK Q96KB5 1/20 0.50
CNR1 P21554 1/20 0.49
CNR2 P34972 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL16334671 1.00 USP30 (0.65) USP30CHRM1PARP1NPC1RAB9A
SCHEMBL10224520 1.00 USP30 (0.65) USP30CHRM1PARP1NPC1RAB9A
SCHEMBL5145035 0.85 USP30 (0.82) USP30CHRM1PARP1MEN1KMT2A
SCHEMBL21598915 0.82 USP30 (0.56) USP30PARP1HDAC4HDAC6
SCHEMBL269690 0.81 USP30 (0.58) USP30PARP1MEN1KMT2AHDAC4
SCHEMBL268538 0.81 USP30 (0.58) USP30PARP1MEN1KMT2AHDAC4
SCHEMBL268539 0.81 USP30 (0.58) USP30PARP1MEN1KMT2AHDAC4
SCHEMBL12991579 0.81 ALDH1A1 (0.51) USP30RAB9AMEN1KMT2A
SCHEMBL31451464 0.81 USP30 (0.69) USP30PARP1HDAC4HDAC6GABRA5
SCHEMBL22449355 0.81 USP30 (0.69) USP30PARP1HDAC4HDAC6GABRA5

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-20120088791-A1 AMIDOBIPIPERIDINECARBOXYLATE M1 ALLOSTERIC AGONISTS, ANALOGS AND DERIVATIVES THEREOF, AND METHODS OF MAKING AND USING SAME VANDERBILT UNIVERSITY (US) 2012-04-12 US disclosed
WO-2010096703-A1 AMIDOBIPIPERIDINECARBOXYLATE M1 ALLOSTERIC AGONISTS, ANALOGS AND DERIVATIVES THEREOF, AND METHODS OF MAKING AND USING SAME VANDERBILT UNIVERSITY (US) 2010-08-26 WO 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-20120088791-A1 AMIDOBIPIPERIDINECARBOXYLATE M1 ALLOSTERIC AGONISTS, ANALOGS AND DERIVATIVES THEREOF, AND METHODS OF MAKING AND USING SAME CHRM1, CHRM5, CHRM2 USP30 3305/4885CHRM1 1/4885PARP1 2822/4885

“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.