SCHEMBL4127734

SCHEMBL4127734

O=C(O)N1CCC2(CC1)CN(CC1CCCCC1)C(=O)c1ccccc1O2

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.42
HRH3 Q9Y5N1 1/20 0.41
CYP2C9 P11712 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
EPHX1 P07099 2/20 0.40
SCN5A Q14524 1/20 0.40
TRPA1 O75762 2/20 0.39
USP19 O94966 4/20 0.39
F2RL1 P55085 1/20 0.38

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
SCHEMBL3507123 0.87 CCR5 (0.44) CYP2C9SIGMAR1USP19
SCHEMBL3509723 0.83 OPRD1 (0.39) SIGMAR1TRPA1
SCHEMBL2451570 0.82 SIGMAR1 (0.44) SIGMAR1
SCHEMBL2451634 0.81 EPHX2 (0.44) EPHX2HRH3CYP2C9SIGMAR1EPHX1
SCHEMBL2453500 0.80 SIGMAR1 (0.53) SIGMAR1
SCHEMBL2449728 0.78 SIGMAR1 (0.48) EPHX2HRH3CYP2C9SIGMAR1EPHX1
SCHEMBL2451492 0.78 SIGMAR1 (0.48) SIGMAR1
SCHEMBL12184675 0.77 SMN1; SMN2 (0.33)
SCHEMBL2452588 0.77 EPHX2 (0.55) EPHX2CYP2C9SIGMAR1EPHX1SCN5A
SCHEMBL2449723 0.76 CCR5 (0.48) HRH3SIGMAR1

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-7498323-B2 Spiro-piperidine compounds and medicinal use thereof ONO PHARMACEUTICALS CO., LTD. (JP) 2009-03-03 US disclosed
US-20060229301-A1 Spiro-piperidine compounds and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2006-10-12 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-20060229301-A1 Spiro-piperidine compounds and medicinal use thereof CCR1, CCR7, CCR3 EPHX2 1180/4885HRH3 61/4885CYP2C9 907/4885

“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.