SCHEMBL9894320

SCHEMBL9894320

O=C(O)N1CCC(c2nc(Cl)c[nH]2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 6/20 0.38
AVPR1A P37288 1/20 0.38
LMNA P02545 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HSD11B1 P28845 4/20 0.35
PRKAB2 O43741 1/20 0.34
PRKAG1 P54619 1/20 0.34
PRKAA2 P54646 1/20 0.34
PRKAA1 Q13131 1/20 0.34
PRKAG3 Q9UGI9 1/20 0.34
PRKAG2 Q9UGJ0 1/20 0.34
PRKAB1 Q9Y478 1/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
NFKB1 P19838 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL14782547 0.82 HTR2B (0.38) HTR2BAVPR1ANPC1MAPTRAB9A
SCHEMBL20292182 0.79 CHRM4 (0.40) L3MBTL1PARP1
SCHEMBL9894217 0.78 HTR2B (0.36) HTR2BPARP1
SCHEMBL1662947 0.78 RBP4 (0.37) HTR2B
SCHEMBL17001810 0.78 HTR1D (0.41) PARP1
SCHEMBL1662372 0.76 ALDH1A1 (0.37) HTR2B
SCHEMBL1664729 0.75 HTR2B (0.34) HTR2B
SCHEMBL6168951 0.75 HTR2B (0.51) HTR2B
SCHEMBL1664728 0.75 HTR2B (0.40) HTR2BLMNAL3MBTL1PARP1
SCHEMBL6166219 0.74 HTR2B (0.49) HTR2BLMNAL3MBTL1HSD11B1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2491032-B1 AKT INHIBITORS LILLY CO ELI (US) 2014-04-16 EP disclosed
US-8436002-B2 AKT inhibitors ELI LILLY AND COMPANY (US) 2013-05-07 US disclosed
US-20120149684-A1 AKT INHIBITORS ELI LILLY AND COMPANY (US) 2012-06-14 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-20120149684-A1 AKT INHIBITORS AKT2, PIK3CA, AKT3 HTR2B 3577/4885AVPR1A 4803/4885LMNA 4267/4885

“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.