SCHEMBL3034682

SCHEMBL3034682

Cc1nccn1CCCN(C)C(=O)C(O)(c1ccccc1)C1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
POLB P06746 1/20 0.44
CHRM3 P20309 9/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
CHRM2 P08172 6/20 0.41
CHRM1 P11229 6/20 0.41
HRH1 P35367 1/20 0.41
KCNH2 Q12809 1/20 0.41
SLC29A1 Q99808 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
HTT P42858 1/20 0.40
CYP1A2 P05177 1/20 0.39

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
SCHEMBL3034644 0.99 POLB (0.45) ALDH1A1POLBCHRM3KEAP1NFE2L2
SCHEMBL3045355 0.81 CHRM2 (0.48) CHRM3CHRM2CHRM1
SCHEMBL3048703 0.81 HTT (0.62) ALDH1A1POLBCHRM3CHRM2CHRM1
Iodide SCHEMBL3035535 0.81 ALDH1A1 (0.44) ALDH1A1POLBCHRM3KEAP1NFE2L2
SCHEMBL2793876 0.80 HTT (0.64) ALDH1A1POLBCHRM3CHRM2CHRM1
SCHEMBL3051780 0.80 CHRM2 (0.47) CHRM3CHRM2CHRM1
SCHEMBL4886224 0.79 KEAP1 (0.50) ALDH1A1CHRM3KEAP1NFE2L2CHRM2
SCHEMBL3049246 0.79 CHRM2 (0.49) CHRM3CHRM2CHRM1
SCHEMBL3042280 0.79 ALDH1A1 (0.58) ALDH1A1POLBCHRM3KEAP1NFE2L2
SCHEMBL3043382 0.79 CHRM2 (0.49) CHRM3CHRM2CHRM1

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 9 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-20100222352-A1 Compounds and Methods for the Treatment of Viruses and Cancer YALE UNIVERSITY (US) 2010-09-02 US disclosed
US-20100222393-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 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
WO-2007038387-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OF VIRUSES AND CANCER YALE UNIVERSITY (US) 2007-04-05 WO 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 ALDH1A1 1738/4885POLB 3807/4885CHRM3 1/4885
US-20100222352-A1 Compounds and Methods for the Treatment of Viruses and Cancer RCOR1, RCOR3, CCNT1 ALDH1A1 1494/4885POLB 1999/4885CHRM3 1496/4885
US-20100004215-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS PDE4B, PDE4A, PDE3B ALDH1A1 2460/4885POLB 1328/4885CHRM3 88/4885

“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.