SCHEMBL1674869

SCHEMBL1674869

Cc1ccccc1C(=O)N[C@H]1CCCNC1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.69
RAB9A P51151 1/20 0.69
SMN1; SMN2 Q16637 2/20 0.54
GLA P06280 1/20 0.54
CHEK1 O14757 7/20 0.53
CDK2AP1 O14519 3/20 0.53
PBK Q96KB5 3/20 0.52
MAPK1 P28482 1/20 0.51
OPRK1 P41145 1/20 0.51
PARP1 P09874 1/20 0.51
POLB P06746 1/20 0.50
CCR8 P51685 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL1278935 1.00 NPC1 (0.69) NPC1RAB9ASMN1; SMN2GLACHEK1
SCHEMBL1278937 1.00 NPC1 (0.69) NPC1RAB9ASMN1; SMN2GLACHEK1
Hydrochloric Acid SCHEMBL4937740 0.90 NPC1 (0.62) NPC1RAB9ASMN1; SMN2GLAPBK
SCHEMBL13161968 0.85 NPC1 (0.67) NPC1RAB9ASMN1; SMN2GLAPOLB
SCHEMBL13162659 0.84 NPC1 (0.97) NPC1RAB9ASMN1; SMN2GLAPOLB
SCHEMBL13162641 0.84 NPC1 (0.90) NPC1RAB9ASMN1; SMN2GLAPOLB
SCHEMBL29392153 0.83 CHEK1 (0.56) CHEK1CDK2AP1PBKPARP1
SCHEMBL7673369 0.83 CHEK1 (0.56) CHEK1CDK2AP1PBKPARP1
SCHEMBL31227213 0.83 CHEK1 (0.60) CHEK1CDK2AP1PBKPARP1
SCHEMBL5654175 0.83 CHEK1 (0.60) CHEK1CDK2AP1PBKPARP1

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 NPC1 1646/4885RAB9A 1694/4885SMN1; SMN2 1333/4885

“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.