SCHEMBL12775992

SCHEMBL12775992

CN(C)CCCOc1cccc(CC(C)(C)C)c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.53
CHRNA4 P43681 1/20 0.53
KDM4E B2RXH2 4/20 0.51
ALDH1A1 P00352 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
HRH3 Q9Y5N1 2/20 0.47
ESR1 P03372 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
ROCK2 O75116 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
ROCK1 Q13464 1/20 0.46
LSS P48449 1/20 0.46
LMNA P02545 1/20 0.45
GGPS1 O95749 1/20 0.45
FAAH O00519 1/20 0.45

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
SCHEMBL12844412 0.83 CYP2D6 (0.53) CHRNB2CHRNA4KDM4EALDH1A1SMN1; SMN2
SCHEMBL14331100 0.83 KDM4E (0.55) CHRNB2CHRNA4KDM4EALDH1A1SMN1; SMN2
SCHEMBL12866793 0.82 GGPS1 (0.50) KDM4EALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL108446 0.81 KEAP1 (0.58) CHRNB2CHRNA4KDM4EALDH1A1SMN1; SMN2
SCHEMBL2422195 0.81 KDM4E (0.57) CHRNB2CHRNA4KDM4EALDH1A1SMN1; SMN2
SCHEMBL3636625 0.81 KDM4E (0.57) CHRNB2CHRNA4KDM4EALDH1A1SMN1; SMN2
SCHEMBL679020 0.81 HRH3 (0.67) KDM4EALDH1A1SMN1; SMN2HRH3CYP3A4
SCHEMBL10224056 0.81 GGPS1 (0.46) LMNAGGPS1
Hydrochloric Acid SCHEMBL16497261 0.80 KDM4E (0.56) CHRNB2CHRNA4KDM4EALDH1A1SMN1; SMN2
SCHEMBL11254964 0.80 KDM4E (0.59) KDM4EALDH1A1SMN1; SMN2HRH3ESR1

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 CHRNB2 800/4885CHRNA4 530/4885KDM4E 3026/4885

“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.