SCHEMBL6850220

SCHEMBL6850220

CCC1=C(C(=O)OCc2ccccc2)C(c2ccc(F)c(F)c2)[N+](C(=O)[O-])(c2ccc([N+](=O)[O-])cc2)C(OC)=N1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE1C Q14123 1/20 0.38
HTT P42858 1/20 0.38
CYP3A4 P08684 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ATM Q13315 1/20 0.35
ADORA3 P0DMS8 4/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.34
AR P10275 1/20 0.33
PDE7A Q13946 1/20 0.33
PDE3A Q14432 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PLCG1 P19174 1/20 0.33
CACNA1D Q01668 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
SCHEMBL6216267 0.76 PDE1C (0.38) PDE1CHTTCYP3A4ALDH1A1CYP1A2
SCHEMBL7978679 0.70 PDE1C (0.39) PDE1CHTTCYP3A4ALDH1A1CYP1A2
SCHEMBL6195857 0.69 TSHR (0.46) ALDH1A1TDP1
SCHEMBL6792992 0.69 PDE1C (0.45) PDE1C
SCHEMBL3993972 0.68 ADORA3 (0.41) CYP3A4ALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL6850188 0.68 ADORA3 (0.46) CYP3A4CYP1A2CYP2D6CYP2C9ADORA3
SCHEMBL6787375 0.66 PDE1C (0.37) PDE1CHTTALDH1A1L3MBTL1ATM
SCHEMBL6712135 0.65 PDE1C (0.39) PDE1CCYP3A4
SCHEMBL22076399 0.63 RAB9A (0.57) PDE1CHTTALDH1A1L3MBTL1MAPK1
SCHEMBL6646229 0.63 ADRA1D (0.39) ADORA3CACNA1D

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 PDE1C 1021/4885HTT 191/4885CYP3A4 1559/4885

“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.