SCHEMBL1012465

SCHEMBL1012465

O=C(NC1C2CC3CC(C2)CC1C3)c1cnc(Cl)nc1Cl

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.50
HSD11B1 P28845 7/20 0.48
LMNA P02545 4/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
JUN P05412 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
FAAH O00519 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41

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
SCHEMBL1013080 0.86 HSD11B1 (0.60) HSD11B1
SCHEMBL1013078 0.86 HSD11B1 (0.60) HSD11B1
SCHEMBL1968849 0.78 HSD11B1 (0.49) HTTHSD11B1LMNAALDH1A1HPGD
SCHEMBL1013039 0.78 HSD11B1 (0.63) HTTHSD11B1
SCHEMBL30961274 0.77 NR3C1 (0.49) HTTLMNAALDH1A1HPGDKMT2A
SCHEMBL1649728 0.76 PABPC1 (0.50) HTTALDH1A1HPGDMEN1KMT2A
SCHEMBL1018323 0.75 NPC1 (0.50) HTTLMNAALDH1A1HPGDKMT2A
SCHEMBL9744263 0.74 HSD11B1 (0.53) HTTHSD11B1LMNAALDH1A1HPGD
SCHEMBL5570021 0.73 NFKB1 (0.54) JUNNFKB1NFKB2RELA
SCHEMBL4721408 0.72 HTT (0.54) HTTHSD11B1LMNAALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011049520-A1 ADAMANTYL IMINOCARBONYL-SUBSTITUTED PYRIMIDINES AS INHIBITORS OF 1 1 BETAHSD1 ASTRAZENECA AB (SE) 2011-04-28 WO disclosed
EP-2271629-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 AstraZeneca AB (SE) 2011-01-12 EP disclosed
WO-2009130496-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 ASTRAZENECA AB (SE) 2009-10-29 WO disclosed
US-20090264401-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 ASTRAZENECA AB (SE) 2009-10-22 US disclosed
US-20090264401-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 ASTRAZENECA AB (SE) 2009-10-22 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-20090264401-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 CYP2S1, HSD11B1, HSD3B1 HTT 1872/4885HSD11B1 2/4885LMNA 4185/4885

“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.