SCHEMBL12844152

SCHEMBL12844152

CCCc1c[nH]c2ccc(C(=O)OC)cc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.68
NPC1 O15118 1/20 0.64
KMT2A Q03164 3/20 0.62
MEN1 O00255 2/20 0.62
ATM Q13315 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
HTR1A P08908 2/20 0.56
HTR1D P28221 2/20 0.56
HTR1B P28222 2/20 0.56
CYP1A2 P05177 2/20 0.55
HSD17B10 Q99714 2/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
HTR7 P34969 3/20 0.53
HTR6 P50406 2/20 0.53
TSHR P16473 1/20 0.53
HTR2C P28335 1/20 0.53
HTR5A P47898 1/20 0.53
MTNR1A P48039 2/20 0.53
POLB P06746 1/20 0.53

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
SCHEMBL22554662 0.90 GPR84 (0.73) GPR84NPC1KMT2AMEN1ATM
SCHEMBL10981163 0.90 GPR84 (0.62) GPR84NPC1KMT2AMEN1ATM
SCHEMBL7424745 0.89 NPC1 (0.80) GPR84NPC1KMT2AMEN1ATM
SCHEMBL3974212 0.89 NPC1 (0.80) GPR84NPC1KMT2AMEN1ATM
SCHEMBL2534004 0.88 HTR1A (0.73) GPR84NPC1KMT2AMEN1HTR1A
SCHEMBL27427278 0.88 GPR84 (0.67) GPR84NPC1KMT2AMEN1ATM
SCHEMBL8806861 0.88 GPR84 (0.67) GPR84NPC1KMT2AMEN1ATM
SCHEMBL29871648 0.87 GPR84 (0.87) GPR84NPC1KMT2AMEN1ATM
SCHEMBL4349467 0.86 NPC1 (0.68) GPR84NPC1KMT2AMEN1ATM
SCHEMBL2161423 0.86 GPR84 (0.76) GPR84NPC1KMT2AMEN1ATM

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 GPR84 748/4885NPC1 255/4885KMT2A 2987/4885

“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.