SCHEMBL3671867

SCHEMBL3671867

Cc1nccn1CCCCOC(=O)[C@](O)(c1ccccc1)[C@@H]1CCCC(F)(F)C1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.47
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.42
CHRM2 P08172 13/20 0.41
CHRM1 P11229 13/20 0.41
CHRM3 P20309 11/20 0.41
KCNH2 Q12809 2/20 0.41
SLC6A3 Q01959 1/20 0.41
LMNA P02545 2/20 0.41
HRH1 P35367 1/20 0.40
SLC29A1 Q99808 1/20 0.40
CYP3A4 P08684 1/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL4449850 0.97 HTT (0.49) HTTALDH1A1POLBCHRM2CHRM1
SCHEMBL3675633 0.95 CHRM2 (0.46) CHRM2CHRM1CHRM3
SCHEMBL3673737 0.94 ALDH1A1 (0.46) HTTALDH1A1POLBCHRM2CHRM1
SCHEMBL3677123 0.94 ALDH1A1 (0.46) HTTALDH1A1POLBCHRM2CHRM1
SCHEMBL3048703 0.86 HTT (0.62) HTTALDH1A1POLBCHRM2CHRM1
SCHEMBL2793876 0.85 HTT (0.64) HTTALDH1A1POLBCHRM2CHRM1
Bromide SCHEMBL2795428 0.84 HTT (0.45) HTTALDH1A1POLBCHRM2CHRM1
SCHEMBL3042280 0.82 ALDH1A1 (0.58) HTTALDH1A1POLBCHRM2CHRM1
SCHEMBL3040562 0.81 POLB (0.58) HTTALDH1A1POLBCHRM2CHRM1
SCHEMBL3137218 0.81 POLB (0.58) HTTALDH1A1POLBCHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (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-20100004215-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS PDE4B, PDE4A, PDE3B HTT 4847/4885ALDH1A1 2460/4885POLB 1328/4885

“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.