SCHEMBL1279112

SCHEMBL1279112

O=C(N[C@@H]1CCCNC1)c1cccs1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.69
HPGD P15428 2/20 0.69
TSHR P16473 2/20 0.69
NPC1 O15118 2/20 0.69
MEN1 O00255 1/20 0.69
ALDH1A1 P00352 1/20 0.69
CYP1A2 P05177 1/20 0.69
CYP3A4 P08684 1/20 0.69
CYP2D6 P10635 1/20 0.69
CYP2C19 P33261 1/20 0.69
KMT2A Q03164 1/20 0.69
PBK Q96KB5 11/20 0.61
HSD17B10 Q99714 1/20 0.58
CDK2AP1 O14519 1/20 0.56
CHEK1 O14757 1/20 0.56
CHRNA1 P02708 1/20 0.56
CHRNB2 P17787 1/20 0.56
CHRNB4 P30926 1/20 0.56
CHRNA4 P43681 1/20 0.56
GAA P10253 1/20 0.52

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
SCHEMBL1279114 1.00 RAB9A (0.69) RAB9AHPGDTSHRNPC1MEN1
SCHEMBL27876089 0.93 RAB9A (0.66) RAB9AHPGDTSHRNPC1MEN1
SCHEMBL359241 0.84 RAB9A (0.74) RAB9AHPGDTSHRNPC1MEN1
SCHEMBL12181432 0.84 RAB9A (0.90) RAB9AHPGDTSHRNPC1MEN1
SCHEMBL2314040 0.83 CHEK1 (0.55) RAB9AHPGDTSHRNPC1MEN1
SCHEMBL12181229 0.82 RAB9A (1.00) RAB9AHPGDTSHRNPC1MEN1
SCHEMBL3456092 0.82 RAB9A (1.00) RAB9AHPGDTSHRNPC1MEN1
SCHEMBL825926 0.80 RAB9A (0.84) RAB9AHPGDTSHRNPC1MEN1
SCHEMBL8219183 0.77 PBK (0.77) PBK
SCHEMBL8219193 0.77 PBK (0.77) PBK

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-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

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 RAB9A 1694/4885HPGD 1582/4885TSHR 211/4885

“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.