SCHEMBL3671869

SCHEMBL3671869

Cc1nccn1CCCCc1ccccc1[C@@](O)(C(=O)O)[C@@H]1CCCC(F)(F)C1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 18/20 0.36
CHRM1 P11229 18/20 0.36
CHRM3 P20309 18/20 0.36
P2RX7 Q99572 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL2793984 0.97 CHRM2 (0.37) CHRM2CHRM1CHRM3
SCHEMBL3675637 0.95 CHRM2 (0.41) CHRM2CHRM1CHRM3
SCHEMBL3673741 0.94 CHRM2 (0.38) CHRM2CHRM1CHRM3
SCHEMBL3677129 0.94 CHRM2 (0.38) CHRM2CHRM1CHRM3
SCHEMBL3671867 0.80 HTT (0.47) CHRM2CHRM1CHRM3KDM4EALDH1A1
SCHEMBL4449850 0.79 HTT (0.49) CHRM2CHRM1CHRM3ALDH1A1HTT
SCHEMBL3673737 0.77 ALDH1A1 (0.46) CHRM2CHRM1CHRM3ALDH1A1HTT
SCHEMBL3677123 0.77 ALDH1A1 (0.46) CHRM2CHRM1CHRM3ALDH1A1HTT
SCHEMBL3675633 0.75 CHRM2 (0.46) CHRM2CHRM1CHRM3
SCHEMBL4509630 0.74 CHRM2 (0.55) 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 2 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
US-20100004215-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2010-01-07 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-20100004215-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS PDE4B, PDE4A, PDE3B CHRM2 84/4885CHRM1 158/4885CHRM3 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.