SCHEMBL7025600

SCHEMBL7025600

C[C@@H](C(=O)OP(=O)(O)Cl)N(OCCC1CCCCC1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 13/20 0.38
CHRM1 P11229 13/20 0.38
CHRM4 P08173 12/20 0.38
CHRM3 P20309 12/20 0.38
CHRM5 P08912 6/20 0.38
KLK7 P49862 1/20 0.36
POLB P06746 2/20 0.35
ATM Q13315 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
MITF O75030 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
PAX8 Q06710 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPY5R Q15761 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 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
SCHEMBL7023153 0.86 PTGIR (0.36) CHRM2CHRM1CHRM4CHRM3CHRM5
SCHEMBL7028386 0.83 PTGIR (0.39)
SCHEMBL781866 0.82 POLB (0.37) CHRM2CHRM1CHRM4CHRM3CHRM5
SCHEMBL779563 0.81 SMN1; SMN2 (0.37) POLBALDH1A1KDM4EMEN1NPC1
SCHEMBL20856173 0.81 SMN1; SMN2 (0.38) POLBALDH1A1KDM4EMEN1NPC1
SCHEMBL7795340 0.81 SMN1; SMN2 (0.38) POLBALDH1A1KDM4EMEN1NPC1
SCHEMBL17786771 0.79 TSHR (0.39) POLBALDH1A1KDM4ENPC1RAB9A
SCHEMBL20162521 0.79 TSHR (0.39) POLBALDH1A1KDM4ENPC1RAB9A
SCHEMBL20162506 0.78 ALDH1A1 (0.38) ALDH1A1KDM4E
SCHEMBL472178 0.78 ALDH1A1 (0.38) ALDH1A1KDM4E

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
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
EP-1117669-A1 ANTIVIRAL PURINE DERIVATIVES UNIVERSITY COLLEGE CARDIFF CONSULTANTS LTD. (GB) 2001-07-25 EP disclosed
WO-2000018775-A1 ANTIVIRAL PURINE DERIVATIVES UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2000-04-06 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 (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 CHRM2 4723/4885CHRM1 3575/4885CHRM4 4114/4885

“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.