SCHEMBL3006964

SCHEMBL3006964

CN(C(=O)COC(=O)C(F)(F)F)C1CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 1/20 0.36
TACR1 P25103 4/20 0.36
CHRM1 P11229 1/20 0.36
ALDH1A1 P00352 4/20 0.34
RAB9A P51151 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 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
SCHEMBL20596706 0.83 SLC6A4 (0.35) SLC6A2SLC6A4SLC6A3TACR1
SCHEMBL20596703 0.83 TACR1 (0.40) KDM4ESLC6A2SLC6A4SLC6A3TACR1
SCHEMBL16408196 0.81 KDM4E (0.40) KDM4ESLC6A2SLC6A4CHRM1ALDH1A1
SCHEMBL22797936 0.81 SLC6A4 (0.41) SLC6A2SLC6A4SLC6A3TACR1
SCHEMBL22449324 0.81 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3TACR1
SCHEMBL22797956 0.81 TACR1 (0.39) SLC6A2SLC6A4SLC6A3TACR1
SCHEMBL26599372 0.80 KDM4E (0.36) KDM4EALDH1A1RAB9AMEN1KMT2A
SCHEMBL3008298 0.80 USP30 (0.38) SLC6A2SLC6A4SLC6A3TACR1
SCHEMBL22797790 0.80 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3
SCHEMBL22797911 0.79 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100197908-A1 Pyridazine Derivatives with MCH Antagonistic Activity and Medicaments Comprising These Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-05 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-20100197908-A1 Pyridazine Derivatives with MCH Antagonistic Activity and Medicaments Comprising These Compounds MCHR1, MCHR2, MC5R KDM4E 1410/4885SLC6A2 1937/4885SLC6A4 2547/4885

“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.