SCHEMBL4098087

SCHEMBL4098087

COC(=O)C1CCN(c2cccc(Cl)n2)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
LMNA P02545 2/20 0.62
HTR3E A5X5Y0 3/20 0.57
HTR3B O95264 3/20 0.57
HTR3A P46098 3/20 0.57
HTR3D Q70Z44 3/20 0.57
HTR3C Q8WXA8 3/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2D6 P10635 1/20 0.57
ALOX15 P16050 1/20 0.57
TSHR P16473 1/20 0.57
NFKB1 P19838 1/20 0.57
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 4/20 0.49
MAPT P10636 4/20 0.46
L3MBTL1 Q9Y468 3/20 0.45
GAA P10253 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL2721149 0.86 MAPT (0.61) MEN1KMT2ASMN1; SMN2HTR3EHTR3B
SCHEMBL31357698 0.86 MAPT (0.61) MEN1KMT2ASMN1; SMN2HTR3EHTR3B
SCHEMBL20442103 0.82 HRH3 (0.55) MEN1KMT2ASMN1; SMN2LMNAKDM4E
SCHEMBL16648678 0.81 HRH3 (0.56) MEN1KMT2ASMN1; SMN2LMNAKDM4E
SCHEMBL4018974 0.80 SMN1; SMN2 (0.61) MEN1KMT2ASMN1; SMN2LMNAKDM4E
SCHEMBL23582270 0.80 HTR3E (0.56) MEN1KMT2ASMN1; SMN2LMNAHTR3E
SCHEMBL21462510 0.80 MAPT (0.57) MEN1KMT2ASMN1; SMN2LMNAKDM4E
SCHEMBL31357634 0.80 HTR3E (0.56) MEN1KMT2ASMN1; SMN2LMNAHTR3E
SCHEMBL3289000 0.80 HTR3E (0.58) MEN1KMT2AHTR3EHTR3BHTR3A
SCHEMBL28518329 0.80 MEN1 (1.00) MEN1KMT2ASMN1; SMN2LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227555-A2 Novel Pyridine Compounds ASTRAZENECA AB (SE) 2009-09-10 US disclosed
US-20090042852-A1 Novel Pyridine Compounds ASTRAZENECA AB (SE) 2009-02-12 US disclosed
CN-101137643-A Novel pyridine compounds ASTRAZENECA AB (SE) 2008-03-05 CN disclosed
EP-1836189-A1 NOVEL PYRIDINE COMPOUNDS AstraZeneca AB (SE) 2007-09-26 EP disclosed
WO-2006073361-A9 NOVEL PYRIDINE COMPOUNDS ASTRAZENECA AB (SE) 2007-08-02 WO disclosed
WO-2006073361-A1 NOVEL PYRIDINE COMPOUNDS ASTRAZENECA AB (SE) 2006-07-13 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 (2 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-20090042852-A1 Novel Pyridine Compounds P2RY12, P2RY11, P2RY1 MEN1 2888/4885KMT2A 4642/4885SMN1; SMN2 3557/4885
US-20090227555-A2 Novel Pyridine Compounds P2RY12, P2RY1, P2RY11 MEN1 2007/4885KMT2A 4406/4885SMN1; SMN2 4121/4885

“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.