SCHEMBL2075237

SCHEMBL2075237

Cn1cc(CCN2CCCC2)c2ccc([N+](=O)[O-])cc21

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.53
ALDH1A1 P00352 2/20 0.52
LMNA P02545 2/20 0.52
MEN1 O00255 1/20 0.52
CYP2D6 P10635 1/20 0.52
KMT2A Q03164 1/20 0.52
CDK2 P24941 5/20 0.48
KCNJ1 P48048 3/20 0.46
KCNH2 Q12809 2/20 0.46
HTR7 P34969 1/20 0.46
SIGMAR1 Q99720 2/20 0.45
PKM P14618 1/20 0.45
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MCHR1 Q99705 1/20 0.42

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
SCHEMBL3355596 0.90 ALDH1A1 (0.55) HRH3ALDH1A1LMNAMEN1CYP2D6
SCHEMBL3355597 0.89 ALDH1A1 (0.57) HRH3ALDH1A1LMNAMEN1CYP2D6
SCHEMBL3357630 0.88 ALDH1A1 (0.53) HRH3ALDH1A1LMNAMEN1CYP2D6
SCHEMBL3351522 0.81 HTR6 (0.51) HRH3ALDH1A1LMNAMEN1CYP2D6
SCHEMBL3356418 0.80 HTR6 (0.54) LMNACDK2HTR7SMN1; SMN2
SCHEMBL3352554 0.80 KMT2A (0.51) ALDH1A1LMNAMEN1CYP2D6KMT2A
SCHEMBL3352978 0.79 CACNB4 (0.56) HRH3ALDH1A1LMNAMEN1CYP2D6
SCHEMBL3357652 0.78 CTSB (0.59) HRH3ALDH1A1LMNAMEN1KMT2A
SCHEMBL2075509 0.78 HTR2A (0.44) HRH3SIGMAR1GAAMCHR1
SCHEMBL3356257 0.78 CACNB4 (0.58) HRH3ALDH1A1LMNAMEN1CYP2D6

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-7902356-B2 Thiazolopyridinone derivates as MCH receptor antagonists ELI LILLY AND COMPANY (US) 2011-03-08 US disclosed
US-7902356-B2 Thiazolopyridinone derivates as MCH receptor antagonists ELI LILLY AND COMPANY (US) 2011-03-08 US disclosed
EP-1828207-B1 THIAZOLOPYRIDINONE DERIVATES AS MCH RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2009-10-28 EP disclosed
EP-1828207-B1 THIAZOLOPYRIDINONE DERIVATES AS MCH RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2009-10-28 EP disclosed
US-20090233919-A1 THIAZOLOPYRIDINONE DERIVATES AS MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2009-09-17 US disclosed
US-20090233919-A1 THIAZOLOPYRIDINONE DERIVATES AS MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2009-09-17 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-20090233919-A1 THIAZOLOPYRIDINONE DERIVATES AS MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R HRH3 170/4885ALDH1A1 668/4885LMNA 3649/4885

“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.