SCHEMBL3321497

SCHEMBL3321497

N#Cc1cnc(-c2ccc(OCC3(C(=O)O)CCN(C(=O)c4ccc(F)cc4)C3)cc2)nc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 3/20 0.68
PTGER4 P35408 1/20 0.68
PTGDR Q13258 1/20 0.68
DRD1 P21728 1/20 0.56
HRH4 Q9H3N8 1/20 0.56
NQO2 P16083 1/20 0.51
PDE3B Q13370 1/20 0.51
PDE3A Q14432 1/20 0.51
LTB4R Q15722 1/20 0.51
PTGDR2 Q9Y5Y4 1/20 0.51
PRKAA2 P54646 5/20 0.41
TACR3 P29371 2/20 0.40
GPR183 P32249 4/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 1/20 0.39
USP2 O75604 2/20 0.39
TSHR P16473 2/20 0.39
HTR1A P08908 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL2435853 0.91 PTGER2 (0.82) PTGER2PTGER4PTGDRDRD1HRH4
SCHEMBL2433080 0.90 PTGER2 (0.68) PTGER2PTGER4PTGDRDRD1HRH4
SCHEMBL2436757 0.90 PTGER2 (0.59) PTGER2PTGER4PTGDRDRD1HRH4
SCHEMBL2435041 0.86 PTGER2 (0.54) PTGER2PTGER4PTGDRDRD1HRH4
SCHEMBL5002721 0.83 PTGER2 (0.71) PTGER2PTGER4PTGDRDRD1HRH4
SCHEMBL2432927 0.81 PTGER2 (1.00) PTGER2PTGER4PTGDRDRD1HRH4
SCHEMBL2472689 0.80 PTGER2 (0.61) PTGER2PTGER4PTGDRDRD1HRH4
SCHEMBL2440478 0.80 PTGER2 (0.54) PTGER2PTGER4PTGDRDRD1HRH4
SCHEMBL2433396 0.79 PTGER2 (0.67) PTGER2PTGER4PTGDRDRD1HRH4
SCHEMBL5005602 0.79 PTGER2 (0.82) PTGER2PTGER4PTGDRDRD1HRH4

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-8278343-B2 Pyrrolidines PFIZER INC. (US) 2012-10-02 US disclosed
WO-2010052625-A1 PYRROLIDINES PFIZER LIMITED (GB) 2010-05-14 WO disclosed
US-20100120793-A1 Pyrrolidines PFIZER ANIMAL HEALTH UK 1 LIMITED (GB) 2010-05-13 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-20100120793-A1 Pyrrolidines PTGER2, PTGDR2, PTGES2 PTGER2 1/4885PTGER4 11/4885PTGDR 10/4885

“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.