SCHEMBL12844623

SCHEMBL12844623

CCCc1ccnc(N2CCOCC2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 3/20 0.50
▸ PIK3CA P42336 2/20 0.49
▸ PIK3CD O00329 1/20 0.49
▸ PIK3R1 P27986 1/20 0.49
▸ PIK3CB P42338 1/20 0.49
▸ MAPK1 P28482 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ EIF2AK2 P19525 1/20 0.44
▸ CCNT1 O60563 1/20 0.42
▸ CCNA2 P20248 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ CDK9 P50750 1/20 0.42

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
SCHEMBL17827961 0.87 PIK3CA (0.51) ACHEPIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL8983629 0.83 ADRB1 (0.52) ACHEALDH1A1KDM4E
SCHEMBL16815392 0.81 PIK3CA (0.51) ACHEPIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL568875 0.81 PIK3CA (0.55) ACHEPIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL24920536 0.80 ACHE (0.48) ACHEPIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL12775935 0.80 ACHE (0.48) ACHEPIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL20745038 0.79 PIK3CA (0.50) ACHEPIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL20746289 0.79 PIK3CA (0.50) ACHEPIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL29434914 0.77 PIK3CA (0.54) ACHEPIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL1110254 0.77 PIK3CA (0.54) ACHEPIK3CAPIK3CDPIK3R1PIK3CB

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 2 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-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 ACHE 1708/4885PIK3CA 1828/4885PIK3CD 2152/4885

“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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