SCHEMBL7021075

SCHEMBL7021075

CCON[C@@](C)(C(=O)OP(=O)(Cl)Oc1ccccc1)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 8/20 0.36
CHRM1 P11229 8/20 0.36
CHRM4 P08173 7/20 0.36
CHRM3 P20309 7/20 0.36
CYP2C19 P33261 2/20 0.35
KCNH2 Q12809 2/20 0.35
SLC6A3 Q01959 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
PKM P14618 1/20 0.35
NFKB1 P19838 1/20 0.35
THPO P40225 1/20 0.35
ABCB11 O95342 1/20 0.35
ESR1 P03372 1/20 0.35
CHRM5 P08912 1/20 0.35
ADRA2A P08913 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
TBXA2R P21731 1/20 0.35

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
SCHEMBL4268814 0.70 ELANE (0.40) RAB9AMEN1KMT2A
SCHEMBL6554875 0.70 SRC (0.38) PKMHPGD
SCHEMBL3972258 0.69 LMNA (0.39) MEN1KMT2A
SCHEMBL1812000 0.68 SMN1; SMN2 (0.41) SMN1; SMN2MEN1KMT2A
SCHEMBL3971351 0.67 BTN3A1 (0.41)
SCHEMBL873273 0.67 BTN3A1 (0.41)
SCHEMBL4268095 0.67 L3MBTL1 (0.36) SIGMAR1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL7771508 0.67 METAP2 (0.39) DPP7
SCHEMBL15487543 0.65 DPP7 (0.38) CYP1A2CYP2D6RAB9AMEN1KMT2A
SCHEMBL7022706 0.65 METAP2 (0.44) DPP7

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.