SCHEMBL12844005

SCHEMBL12844005

CCc1ccc(C(=O)NCC2CCCCC2)nn1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.51
HDAC6 Q9UBN7 2/20 0.50
CNR1 P21554 2/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.45
MMP13 P45452 1/20 0.45
MLYCD O95822 1/20 0.45
CA2 P00918 1/20 0.44
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL12843981 0.83 CNR1 (0.53) NAMPTHDAC6CNR1KMT2AMEN1
SCHEMBL12775199 0.80 NAMPT (0.50) NAMPTHDAC6CNR1KMT2AMEN1
SCHEMBL12775509 0.80 NAMPT (0.53) NAMPTHDAC6CNR1KMT2AMEN1
SCHEMBL12844125 0.78 ACKR3 (0.59)
SCHEMBL12844126 0.78 CNR1 (0.40) HDAC6CNR1
SCHEMBL28111734 0.74 NAMPT (0.49) NAMPTHDAC6
SCHEMBL12844495 0.73 PLK1 (0.43) HDAC6
SCHEMBL938902 0.73 NAMPT (0.47) NAMPTHDAC6CNR1TDP1
SCHEMBL12017925 0.72 NAMPT (0.45) NAMPTHDAC6CNR1
SCHEMBL12844003 0.72 CHRM2 (0.40) CNR1MLYCD

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 NAMPT 2/4885HDAC6 169/4885CNR1 423/4885

“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.