SCHEMBL3034644

SCHEMBL3034644

Cc1nccn1CCCN(C)C(=O)C(O)(c1ccccc1)C1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
ALDH1A1 P00352 1/20 0.44
CHRM2 P08172 5/20 0.43
CHRM1 P11229 5/20 0.43
HRH1 P35367 1/20 0.43
KCNH2 Q12809 1/20 0.43
SLC29A1 Q99808 1/20 0.43
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42
CHRM3 P20309 8/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL3034682 0.99 ALDH1A1 (0.45) POLBALDH1A1CHRM2CHRM1HRH1
SCHEMBL2793876 0.82 HTT (0.64) POLBALDH1A1CHRM2CHRM1HRH1
SCHEMBL3051780 0.82 CHRM2 (0.47) CHRM2CHRM1CHRM3
SCHEMBL3045355 0.80 CHRM2 (0.48) CHRM2CHRM1CHRM3
SCHEMBL3048703 0.80 HTT (0.62) POLBALDH1A1CHRM2CHRM1HRH1
Iodide SCHEMBL3035535 0.80 ALDH1A1 (0.44) POLBALDH1A1CHRM2CHRM1HRH1
SCHEMBL3049247 0.79 KEAP1 (0.49) POLBALDH1A1CHRM2CHRM1HRH1
SCHEMBL3137218 0.79 POLB (0.58) POLBALDH1A1CHRM2CHRM1HRH1
SCHEMBL3040562 0.79 POLB (0.58) POLBALDH1A1CHRM2CHRM1HRH1
SCHEMBL3046791 0.79 CHRM2 (0.48) CHRM2CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222393-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2010-09-02 US claimed
US-20100004215-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2010-01-07 US claimed
EP-2111861-A1 Compositions of phosphodiesterase type IV inhibitors Ranbaxy Laboratories Limited (IN) 2009-10-28 EP claimed
US-9018209-B2 Compounds and methods for the treatment of viruses and cancer YALE UNIVERSITY (US) 2015-04-28 US disclosed
US-20100222393-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2010-09-02 US disclosed
US-20100222352-A1 Compounds and Methods for the Treatment of Viruses and Cancer YALE UNIVERSITY (US) 2010-09-02 US disclosed
US-20100004215-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2010-01-07 US disclosed
EP-2111861-A1 Compositions of phosphodiesterase type IV inhibitors Ranbaxy Laboratories Limited (IN) 2009-10-28 EP 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 (3 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-20100222393-A1 MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM2, CHRM1 POLB 3807/4885ALDH1A1 1738/4885CHRM2 2/4885
US-20100222352-A1 Compounds and Methods for the Treatment of Viruses and Cancer RCOR1, RCOR3, CCNT1 POLB 1999/4885ALDH1A1 1494/4885CHRM2 1791/4885
US-20100004215-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS PDE4B, PDE4A, PDE3B POLB 1328/4885ALDH1A1 2460/4885CHRM2 84/4885

“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.