SCHEMBL7028382

SCHEMBL7028382

CON(C1CC1)[C@@](C)(C(=O)OP(=O)(O)Cl)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 10/20 0.39
KCNN4 O15554 1/20 0.34
POLB P06746 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CHRM2 P08172 2/20 0.32
CHRM4 P08173 2/20 0.32
CHRM1 P11229 2/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL7023149 0.96 CHRM3 (0.38) CHRM3KCNN4CHRM2CHRM4CHRM1
SCHEMBL7025599 0.82 CHRM3 (0.39) CHRM3POLBCYP2C9CYP2C19CHRM2
SCHEMBL7113639 0.69 KMT2A (0.34) KCNN4CYP2C9CYP2C19ALDH1A1
SCHEMBL7771212 0.66 CHRM3 (0.34) CHRM3KCNN4CYP2C9CYP2C19CHRM2
SCHEMBL4278959 0.63 KDM4E (0.37) KCNN4POLBALDH1A1
SCHEMBL20856211 0.63 KMT2A (0.36) CHRM3KCNN4POLBCHRM2CHRM1
SCHEMBL7771203 0.62 MAPK1 (0.35) CHRM3KCNN4CHRM2CHRM4CHRM1
SCHEMBL12502162 0.61 POLB (0.33) POLBCYP2C9CYP2C19ALDH1A1
SCHEMBL4893317 0.61 KCNN4 (0.42) CHRM3KCNN4CYP2C9CYP2C19NR1H2
SCHEMBL4894696 0.61 KCNN4 (0.42) CHRM3KCNN4CYP2C9CYP2C19NR1H2

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
EP-1117669-B1 ANTIVIRAL PURINE DERIVATIVES UNIV CARDIFF (GB) 2003-01-29 EP disclosed
US-20010031745-A1 Antiviral purine derivatives UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2001-10-18 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-20010031745-A1 Antiviral purine derivatives PNP, TYMP, MTAP CHRM3 4722/4885KCNN4 4071/4885POLB 115/4885

“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.