SCHEMBL1947860

SCHEMBL1947860

COC(=O)N1CCCCN(C(=O)[C@@H]2CN(c3ccc(C#N)nn3)C[C@H]2c2ccc(Cl)cn2)CC1c1ccc(Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 9/20 0.40
PANK3 Q9H999 5/20 0.36
EIF4A3 P38919 1/20 0.34
MDM2 Q00987 3/20 0.34
MC4R P32245 1/20 0.34

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
SCHEMBL13493005 0.91 TACR3 (0.40) TACR3PANK3MC4R
SCHEMBL1947861 0.91 TACR3 (0.40) TACR3PANK3MC4R
SCHEMBL15016247 0.91 TACR3 (0.39) TACR3PANK3EIF4A3MDM2MC4R
SCHEMBL1945984 0.84 MDM2 (0.34) TACR3EIF4A3MDM2
SCHEMBL12536495 0.83 TACR3 (0.42) TACR3PANK3EIF4A3MC4R
SCHEMBL15016249 0.82 TACR3 (0.40) TACR3PANK3EIF4A3MDM2MC4R
SCHEMBL12536372 0.82 TACR3 (0.42) TACR3PANK3MC4R
SCHEMBL12536654 0.81 TACR3 (0.41) TACR3PANK3MC4R
SCHEMBL12536905 0.81 TACR3 (0.39) TACR3PANK3
SCHEMBL12537017 0.79 TACR3 (0.41) TACR3PANK3MC4R

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
US-8592403-B2 Diazepine and diazocane compounds as MC4 agonists PFIZER LIMITED (GB) 2013-11-26 US claimed
US-20110136814-A1 Diazepine and Diazocane Compounds As MC4 Agonists ANDREWS MARK DAVID 2011-06-09 US claimed
US-8592403-B2 Diazepine and diazocane compounds as MC4 agonists PFIZER LIMITED (GB) 2013-11-26 US disclosed
EP-2326638-B9 DIAZEPINE AND DIAZOCANE COMPOUNDS AS MC4 AGONISTS PFIZER LTD (GB) 2013-11-13 EP disclosed
EP-2326638-B1 DIAZEPINE AND DIAZOCANE COMPOUNDS AS MC4 AGONISTS PFIZER LTD (GB) 2013-06-19 EP disclosed
US-20110136814-A1 Diazepine and Diazocane Compounds As MC4 Agonists ANDREWS MARK DAVID 2011-06-09 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-20110136814-A1 Diazepine and Diazocane Compounds As MC4 Agonists MC4R, CHRM4, GPR4 TACR3 194/4885PANK3 3957/4885EIF4A3 3656/4885

“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.