SCHEMBL6848618

SCHEMBL6848618

COC(=O)C1=C(CBr)NC(=O)[N+](C(=O)[O-])(c2ccc([N+](=O)[O-])cc2)C1c1ccc(F)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.39
ADRA1D P25100 4/20 0.36
ADRA1A P35348 4/20 0.36
ADRA1B P35368 4/20 0.36
KDM1A O60341 1/20 0.35
HIF1A Q16665 3/20 0.34
KMT2A Q03164 3/20 0.34
MAPT P10636 3/20 0.34
LMNA P02545 3/20 0.34
MEN1 O00255 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
POLB P06746 2/20 0.34
MAPK1 P28482 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 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
SCHEMBL3993972 0.92 ADORA3 (0.41) ADORA3ADRA1DADRA1AADRA1BKDM1A
SCHEMBL6850188 0.89 ADORA3 (0.46) ADORA3ADRA1DADRA1AADRA1BHIF1A
SCHEMBL6198625 0.73 ADRA1D (0.45) ADRA1DADRA1AADRA1B
SCHEMBL6713345 0.70 ALDH1A1 (0.36) ADORA3KDM1AMAPTLMNAALDH1A1
SCHEMBL6850220 0.67 PDE1C (0.38) ADORA3CYP1A2CYP3A4CYP2C9MAPK1
SCHEMBL6348316 0.67 ADORA3 (0.38) ADORA3KMT2AMAPTLMNAMEN1
SCHEMBL6198119 0.67 ADRA1D (0.38) ADORA3ADRA1DADRA1AADRA1BKDM1A
SCHEMBL6196834 0.65 ADRA1D (0.51) ADRA1DADRA1AADRA1B
SCHEMBL7674379 0.65 ADRA1D (0.51) ADRA1DADRA1AADRA1B
SCHEMBL6712159 0.65 ADRA1A (0.46) ADORA3ADRA1DADRA1AADRA1B

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-20040242609-A1 Selective melanin concentrating hormone-1 (MCH1) receptor antagonists and uses thereof SYNAPTIC PHARMACEUTICAL CORPORATION 2004-12-02 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-20040242609-A1 Selective melanin concentrating hormone-1 (MCH1) receptor antagonists and uses thereof MCHR1, MCHR2, MC4R ADORA3 279/4885ADRA1D 149/4885ADRA1A 161/4885

“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.