SCHEMBL12844313

SCHEMBL12844313

CCC1CCN(c2cccnn2)CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.43
SLC6A7 Q99884 1/20 0.41
NPY1R P25929 1/20 0.41
TRPV1 Q8NER1 2/20 0.40
GLS O94925 5/20 0.38
SMO Q99835 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KLF5 Q13887 1/20 0.37
DPP4 P27487 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37

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
SCHEMBL25059133 0.84 TRPV1 (0.43) RIPK1SLC6A7NPY1RTRPV1GLS
SCHEMBL5199030 0.84 PDE10A (0.46) RIPK1SLC6A7TRPV1GLSDPP4
SCHEMBL25065329 0.82 GLS (0.38) NPY1RGLSDPP4DPP8DPP9
SCHEMBL14094520 0.81 NPC1 (0.52) RIPK1SLC6A7NPY1RTRPV1NPC1
SCHEMBL12142007 0.81 TRPV1 (0.45) RIPK1SLC6A7NPY1RTRPV1GLS
SCHEMBL25091313 0.80 GLS (0.43) RIPK1NPY1RTRPV1GLS
SCHEMBL2000100 0.78 HTR3E (0.54) RIPK1SLC6A7TRPV1GLSDPP4
SCHEMBL3715603 0.78 RIPK1 (0.48) RIPK1SLC6A7TRPV1GLSSMO
Ammonia Solution, Strong SCHEMBL4429607 0.77 KDM4E (0.55) SMO
SCHEMBL12776572 0.77 TRPV1 (0.45) RIPK1SLC6A7NPY1RTRPV1GLS

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 RIPK1 3349/4885SLC6A7 994/4885NPY1R 3054/4885

“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.