SCHEMBL2898430

SCHEMBL2898430

Cc1ccc(CC(N)C(=O)N2C[C@H](CCCCNCCN)N(C(=O)C(N)Cc3ccc(C)cc3Cl)C[C@H]2CC(C)C)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.40
MC4R P32245 7/20 0.38
KCNH2 Q12809 1/20 0.35
HDAC8 Q9BY41 8/20 0.35
HDAC1 Q13547 3/20 0.35
HDAC3 O15379 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
SOS1 Q07889 1/20 0.33
P2RX3 P56373 1/20 0.33
FAP Q12884 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33

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
SCHEMBL14147557 1.00 DPP4 (0.40) DPP4MC4RKCNH2HDAC8HDAC1
SCHEMBL2898426 1.00 DPP4 (0.40) DPP4MC4RKCNH2HDAC8HDAC1
SCHEMBL1748778 0.92 DPP4 (0.48) DPP4MC4RHDAC8HDAC1HDAC3
SCHEMBL4778879 0.92 DPP4 (0.48) DPP4MC4RHDAC8HDAC1HDAC3
SCHEMBL4778870 0.92 DPP4 (0.48) DPP4MC4RHDAC8HDAC1HDAC3
SCHEMBL1748779 0.92 DPP4 (0.48) DPP4MC4RHDAC8HDAC1HDAC3
SCHEMBL5129579 0.92 DPP4 (0.48) DPP4MC4RHDAC8HDAC1HDAC3
SCHEMBL1748573 0.91 MC4R (0.36) DPP4MC4RFAPDPP8DPP9
SCHEMBL5031635 0.91 MC4R (0.36) DPP4MC4RFAPDPP8DPP9
SCHEMBL1748571 0.91 MC4R (0.36) DPP4MC4RFAPDPP8DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080070921-A1 Diamine-Containing, Tetra-Substituted Piperazine Compounds Having Identical 1- and 4-Substituents PALATIN TECHNOLOGIES, INC. (US) 2008-03-20 US claimed
US-7834017-B2 Diamine-containing, tetra-substituted piperazine compounds having identical 1- and 4-substituents PALATIN TECHNOLOGIES, INC. (US) 2010-11-16 US disclosed
WO-2008090357-A2 N, N; -SUBSTITUTED PIPERAZINES BINDING TO MELANOCORTIN RECEPTOR PALATIN TECHNOLOGIES, INC. (US) 2008-07-31 WO disclosed
US-20080070921-A1 Diamine-Containing, Tetra-Substituted Piperazine Compounds Having Identical 1- and 4-Substituents PALATIN TECHNOLOGIES, INC. (US) 2008-03-20 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-20080070921-A1 Diamine-Containing, Tetra-Substituted Piperazine Compounds Having Identical 1- and 4-Substituents NPY1R, MC5R, MC4R DPP4 1448/4885MC4R 3/4885KCNH2 620/4885

“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.