SCHEMBL12141908

SCHEMBL12141908

CC(C)c1ccc(C(=O)NCCN2CCOCC2)nn1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ LMNA P02545 2/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ CD274 Q9NZQ7 2/20 0.51
▸ HTR1A P08908 1/20 0.51
▸ MAOA P21397 1/20 0.51
▸ MAOB P27338 1/20 0.51
▸ KCNH2 Q12809 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ MAPK1 P28482 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ TSHR P16473 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL12844255 0.84 SMN1; SMN2 (0.60) ALDH1A1SMN1; SMN2LMNAKMT2ACD274
SCHEMBL12844562 0.82 SMN1; SMN2 (0.58) ALDH1A1SMN1; SMN2LMNAKMT2ACD274
SCHEMBL12775340 0.81 SMN1; SMN2 (0.57) ALDH1A1SMN1; SMN2LMNAKMT2ACD274
SCHEMBL12986916 0.80 CD274 (0.59) ALDH1A1CD274HTR1AMAOAMAOB
SCHEMBL13689965 0.79 ENPP2 (0.58) ALDH1A1LMNAKMT2ARAB9A
SCHEMBL12057374 0.77 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2LMNAKMT2ACD274
SCHEMBL12017916 0.76 TP53 (0.42) ALDH1A1SMN1; SMN2LMNAKMT2APOLB
SCHEMBL12017920 0.75 POLB (0.43) ALDH1A1SMN1; SMN2LMNAKMT2APOLB
SCHEMBL12012694 0.75 SMN1; SMN2 (0.58) ALDH1A1SMN1; SMN2LMNAKMT2ACD274
SCHEMBL178529 0.75 CD274 (0.74) ALDH1A1LMNACD274HTR1AMAOA

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 10 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-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-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-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-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 ALDH1A1 134/4885SMN1; SMN2 1483/4885LMNA 1611/4885
US-20080146569-A1 Nicotinamide Derivatives NNT, NAMPT, NADK ALDH1A1 148/4885SMN1; SMN2 1371/4885LMNA 1093/4885
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions CYP11B2, CYP11B1, LTC4S ALDH1A1 134/4885SMN1; SMN2 1483/4885LMNA 1611/4885

“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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