SCHEMBL12844486

SCHEMBL12844486

Cc1ncccc1C(=O)N1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.55
ALDH1A1 P00352 3/20 0.55
NPSR1 Q6W5P4 1/20 0.55
HTT P42858 3/20 0.53
KDM4E B2RXH2 1/20 0.53
MAPT P10636 1/20 0.53
GAA P10253 1/20 0.52
TSHR P16473 1/20 0.51
PKM P14618 1/20 0.51
POLB P06746 1/20 0.50

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
SCHEMBL28304921 0.89 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1HTTKDM4EPOLB
SCHEMBL4164590 0.86 HTT (0.54) SMN1; SMN2ALDH1A1HTTKDM4ETSHR
SCHEMBL12141974 0.85 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1NPSR1HTTKDM4E
SCHEMBL29944077 0.84 KMT2A (0.53) SMN1; SMN2ALDH1A1HTTKDM4EMAPT
SCHEMBL22018759 0.83 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1NPSR1HTTKDM4E
SCHEMBL9631669 0.82 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1NPSR1HTTKDM4E
SCHEMBL855339 0.82 POLB (0.60) SMN1; SMN2ALDH1A1NPSR1HTTKDM4E
SCHEMBL30073359 0.82 POLB (0.60) SMN1; SMN2ALDH1A1NPSR1HTTKDM4E
SCHEMBL12844504 0.81 NPSR1 (0.58) SMN1; SMN2ALDH1A1NPSR1HTTKDM4E
SCHEMBL12775471 0.81 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1NPSR1HTTKDM4E

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
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-7582643-B2 Heterocyclic compounds useful in treating diseases and conditions PFIZER INC (US) 2009-09-01 US disclosed
WO-2008104869-A1 NICOTINAMIDE DERIVATIVES AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES PFIZER PRODUCTS INC. (US) 2008-09-04 WO 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 (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-20080146569-A1 Nicotinamide Derivatives NNT, NAMPT, NADK SMN1; SMN2 1371/4885ALDH1A1 148/4885NPSR1 1173/4885
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions CYP11B2, CYP11B1, LTC4S SMN1; SMN2 1483/4885ALDH1A1 134/4885NPSR1 1378/4885

“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.