SCHEMBL12844255

SCHEMBL12844255

Cc1ccc(C(=O)NCCN2CCOCC2)nn1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.60
▸ ALDH1A1 P00352 3/20 0.58
▸ POLB P06746 1/20 0.57
▸ LMNA P02545 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ CD274 Q9NZQ7 2/20 0.54
▸ HTR1A P08908 1/20 0.54
▸ MAOA P21397 1/20 0.54
▸ MAOB P27338 1/20 0.54
▸ KCNH2 Q12809 1/20 0.54
▸ MAPK1 P28482 1/20 0.53

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
SCHEMBL12844562 0.85 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1POLBLMNAKMT2A
SCHEMBL12775340 0.84 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1POLBLMNAKMT2A
SCHEMBL12141908 0.84 ALDH1A1 (0.57) SMN1; SMN2ALDH1A1POLBLMNAKMT2A
SCHEMBL12302077 0.79 POLB (0.66) ALDH1A1POLBCD274HTR1AMAOA
SCHEMBL17788474 0.78 ALDH1A1 (0.69) SMN1; SMN2ALDH1A1POLBLMNAKMT2A
SCHEMBL12012694 0.78 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1POLBLMNAKMT2A
SCHEMBL13852608 0.78 ALDH1A1 (0.62) SMN1; SMN2ALDH1A1POLBLMNAKMT2A
SCHEMBL14190871 0.78 RAB9A (0.62) ALDH1A1LMNAKMT2A
SCHEMBL28670109 0.77 MAOB (0.68) SMN1; SMN2ALDH1A1CD274HTR1AMAOA
SCHEMBL15526795 0.76 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1POLBLMNAKMT2A

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 4 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
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
WO-2008075172-A2 NICOTINAMIDE DERIVATIVES AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES PFIZER PRODUCTS INC. (US) 2008-06-26 — — WO 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 (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-20080146569-A1 Nicotinamide Derivatives NNT, NAMPT, NADK SMN1; SMN2 1371/4885ALDH1A1 148/4885POLB 2232/4885

“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.

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