SCHEMBL11980752

SCHEMBL11980752

CNc1nc(OCCCO)c(C(=O)N[C@H]2CC[C@H](C(F)(F)F)CC2)cc1N

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.39
LRRK2 Q5S007 1/20 0.38
PTGES O14684 4/20 0.37
CHRM4 P08173 1/20 0.37
CNR1 P21554 3/20 0.36
TYK2 P29597 2/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
HTR4 Q13639 2/20 0.35
ABHD12 Q8N2K0 1/20 0.35

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
SCHEMBL11907809 0.93 CNR1 (0.38) CNR2LRRK2PTGESCHRM4CNR1
SCHEMBL670861 0.93 CNR1 (0.38) CNR2LRRK2PTGESCHRM4CNR1
SCHEMBL11908598 0.91 TYK2 (0.42) CNR2LRRK2PTGESTYK2
SCHEMBL670211 0.91 TYK2 (0.42) CNR2LRRK2PTGESTYK2
SCHEMBL671327 0.87 PTGES (0.44) CNR2LRRK2PTGESCNR1
SCHEMBL672703 0.87 PTGES (0.44) CNR2LRRK2PTGESCNR1
SCHEMBL11980755 0.85 ALDH1A1 (0.37) CNR2LRRK2PTGESCNR1TYK2
SCHEMBL672616 0.81 ALDH1A1 (0.38) CNR2CNR1TYK2ALDH1A1POLB
SCHEMBL672615 0.81 ALDH1A1 (0.38) CNR2CNR1TYK2ALDH1A1POLB
SCHEMBL11908919 0.81 TYK2 (0.41) CNR2CNR1TYK2ALDH1A1POLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586604-B2 Inhibitors of the microsomal prostaglandin E2 synthase-1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-19 US disclosed
US-20120208839-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-16 US disclosed
US-20120208839-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-16 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-20120208839-A1 NEW COMPOUNDS PTGER1, PTGS1, PTGES CNR2 85/4885LRRK2 3541/4885PTGES 3/4885

“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.