SCHEMBL731967

SCHEMBL731967

COC(=O)[C@@H]1CN(c2ccc(Cl)nn2)C[C@H]1c1ccc(Cl)cn1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
GRM4 Q14833 1/20 0.38
CHRM4 P08173 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
SCHEMBL12536905 0.87 TACR3 (0.39) KMT2AMEN1SMN1; SMN2CHRM4
SCHEMBL4242136 0.87 LMNA (0.47) KMT2AMEN1SMN1; SMN2LMNAHTT
SCHEMBL2307070 0.84 KMT2A (0.55) KMT2AMEN1SMN1; SMN2
SCHEMBL1920545 0.82 HRH3 (0.35) GRM4
SCHEMBL733745 0.82 HRH3 (0.35) GRM4
SCHEMBL733358 0.82 HRH3 (0.35) GRM4
SCHEMBL14700307 0.82 HRH3 (0.35) GRM4
SCHEMBL1947120 0.81 RXFP1 (0.40) KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL15039462 0.79 GRM4 (0.33) GRM4
SCHEMBL13493085 0.77 SLC6A2 (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1989196-B1 PIPERIDINOYLPYRROLIDINES AS MELANOCORTIN TYPE 4 RECEPTOR AGONISTS PFIZER LTD (GB) 2013-02-13 EP disclosed
US-8138188-B2 Melanocortin type 4 receptor agonist piperidinoylpyrrolidines PFIZER INC. (US) 2012-03-20 US disclosed
US-8138188-B2 Melanocortin type 4 receptor agonist piperidinoylpyrrolidines PFIZER INC. (US) 2012-03-20 US disclosed
US-8138188-B2 Melanocortin type 4 receptor agonist piperidinoylpyrrolidines PFIZER INC. (US) 2012-03-20 US disclosed
US-20090036459-A1 Melanocortin Type 4 Receptor Agonist Piperidinoylpyrrolidines PFIZER INC 2009-02-05 US disclosed
US-20090036459-A1 Melanocortin Type 4 Receptor Agonist Piperidinoylpyrrolidines PFIZER INC 2009-02-05 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-20090036459-A1 Melanocortin Type 4 Receptor Agonist Piperidinoylpyrrolidines MC4R, MC5R, MC3R KMT2A 2041/4885MEN1 798/4885SMN1; SMN2 1943/4885

“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.