SCHEMBL5861345

SCHEMBL5861345

CN(C)CCn1cc2c([N+](=O)[O-])cccc2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
DRD2 P14416 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
CHRM3 P20309 1/20 0.43
MAOA P21397 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
ADORA2A P29274 1/20 0.43
ADRA1A P35348 1/20 0.43
HRH1 P35367 1/20 0.43
DRD3 P35462 1/20 0.43
HTR2B P41595 1/20 0.43
PDE4D Q08499 1/20 0.43
KCNH2 Q12809 1/20 0.43
POLB P06746 3/20 0.43
PABPC1 P11940 2/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL3656023 0.82 ALDH1A1 (0.48) ALDH1A1POLBMEN1KMT2ASMN1; SMN2
SCHEMBL14909620 0.82 ALDH1A1 (0.43) ALDH1A1POLBMEN1LMNAKMT2A
SCHEMBL31169320 0.79 ADORA2A (0.44) ALDH1A1ADORA2APOLBTDP1MAPT
SCHEMBL4719658 0.78 ALDH1A1 (0.59) ALDH1A1POLBMEN1KMT2ASMN1; SMN2
SCHEMBL5860843 0.78 MCHR1 (0.43) ALDH1A1CHRM1POLBMEN1KMT2A
SCHEMBL5860813 0.77 MCHR1 (0.43) ALDH1A1CHRM1POLBMEN1KMT2A
SCHEMBL11540231 0.76 ALDH1A1 (0.44) ALDH1A1ADORA2APOLBMEN1KMT2A
SCHEMBL17610365 0.75 ALDH1A1 (0.40) ALDH1A1POLBPABPC1MEN1LMNA
SCHEMBL28083441 0.74 POLB (0.41) ALDH1A1POLBMEN1LMNAKMT2A
SCHEMBL18131158 0.73 ALDH1A1 (0.37) ALDH1A1POLBPABPC1MEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7049307-B2 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor ABBOTT LABORATORIES (US) 2006-05-23 US disclosed
US-20050187279-A1 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor ABBVIE INC. 2005-08-25 US disclosed
US-20050137187-A1 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor ABBOTT LABORATORIES 2005-06-23 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 (2 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-20050137187-A1 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor MCHR1, MCHR2, MC1R ALDH1A1 2303/4885CHRM2 731/4885CHRM1 701/4885
US-20050187279-A1 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor MCHR1, MCHR2, MC1R ALDH1A1 2303/4885CHRM2 731/4885CHRM1 701/4885

“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.