SCHEMBL12142170

SCHEMBL12142170

CC(C)(C)C1CCN(c2ncc3c(n2)CCOC3)C1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 5/20 0.35
MAPT P10636 5/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 4/20 0.32
ABL1 P00519 1/20 0.32
BCR P11274 1/20 0.32
HSP90AA1 P07900 1/20 0.32
TP53 P04637 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL12142185 0.83 HCRTR1 (0.40) HSP90AB1MAPTPOLBSMN1; SMN2LMNA
SCHEMBL1366043 0.81 MKNK1 (0.40) HSP90AB1POLBSMN1; SMN2
SCHEMBL13690044 0.81 HSP90AB1 (0.50) HSP90AB1MAPTALDH1A1POLBSMN1; SMN2
SCHEMBL12143536 0.81 HSP90AB1 (0.37) HSP90AB1MAPTALDH1A1POLBSMN1; SMN2
SCHEMBL12142165 0.80 LMNA (0.42) HSP90AB1MAPTPOLBLMNAHSP90AA1
SCHEMBL1364993 0.79 PTPN11 (0.39) HSP90AB1MAPTALDH1A1POLBSMN1; SMN2
SCHEMBL16509717 0.77 LMNA (0.35) HSP90AB1MAPTALDH1A1LMNATP53
SCHEMBL3721054 0.76 KDM4E (0.49) HSP90AB1ALDH1A1POLBSMN1; SMN2ABL1
SCHEMBL12142168 0.69 NR1H2 (0.44) POLBSMN1; SMN2
SCHEMBL17592952 0.65 SMYD3 (0.46) ALDH1A1SMN1; SMN2

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-8067589-B2 Heterocyclic compounds useful in treating diseases and conditions PFIZER INC (US) 2011-11-29 US disclosed
US-7902373-B2 asthma; for treating prostaglandin D2 mediated diseases; e.g. 6-(3-fluorophenyl)-N-[1-(1-methyl-1H-tetrazol-5-yl)piperidin-4-yl]nicotinamide PFIZER INC (US) 2011-03-08 US disclosed
US-20090281125-A1 Heterocyclic Compounds Useful in Treating Diseases and Conditions BLAKE TANISHA D 2009-11-12 US disclosed
US-7582643-B2 Heterocyclic compounds useful in treating diseases and conditions PFIZER INC (US) 2009-09-01 US disclosed
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions BLAKE TANISHA D 2008-08-28 US disclosed
US-20080146569-A1 Nicotinamide Derivatives PFIZER INC. 2008-06-19 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 (3 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-20090281125-A1 Heterocyclic Compounds Useful in Treating Diseases and Conditions CYP11B2, CYP11B1, LTC4S HSP90AB1 2651/4885MAPT 2278/4885ALDH1A1 134/4885
US-20080146569-A1 Nicotinamide Derivatives NNT, NAMPT, NADK HSP90AB1 2957/4885MAPT 1563/4885ALDH1A1 148/4885
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions CYP11B2, CYP11B1, LTC4S HSP90AB1 2651/4885MAPT 2278/4885ALDH1A1 134/4885

“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.