Sugi Predict

Sugi Predict / Compounds / SCHEMBL2818796

SCHEMBL2818796

SCHEMBL2818796

O=C(O)c1ccc2c(c1)C(N(C(=O)c1ccccc1Cl)C1CC1)CC2

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 2/20 0.41
▸ HPGD P15428 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.37
▸ PYGL P06737 2/20 0.37
▸ HSD11B1 P28845 5/20 0.36
▸ TP53 P04637 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ TAS1R3 Q7RTX0 2/20 0.35
▸ TAS1R1 Q7RTX1 2/20 0.35
▸ TAS1R2 Q8TE23 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ NPSR1 Q6W5P4 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
SCHEMBL13131594 0.87 WDR5 (0.41) TRPM8HPGDTSHRALDH1A1HSD11B1
SCHEMBL484622 0.85 HPGD (0.49) TRPM8HPGDTSHRALDH1A1PYGL
SCHEMBL785069 0.85 HPGD (0.49) TRPM8HPGDTSHRALDH1A1PYGL
SCHEMBL785978 0.85 TP53 (0.43) TRPM8HPGDTSHRPYGLTP53
SCHEMBL785167 0.85 TP53 (0.43) TRPM8HPGDTSHRPYGLTP53
SCHEMBL785729 0.83 HPGD (0.41) TRPM8HPGDTSHRPOLBHTT
SCHEMBL785968 0.83 TRPM8 (0.47) TRPM8HPGDTSHRALDH1A1PYGL
SCHEMBL785967 0.83 TRPM8 (0.47) TRPM8HPGDTSHRALDH1A1PYGL
SCHEMBL2822146 0.82 SLC6A2 (0.42) TRPM8HPGDTSHRALDH1A1PYGL
SCHEMBL484953 0.82 SLC6A2 (0.42) TRPM8HPGDTSHRALDH1A1PYGL

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 — — US disclosed
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 — — US disclosed
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 — — US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 — — US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 — — US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 — — US disclosed
CN-102365276-A Substituted spiro-amide compounds GRUENENTHAL GMBH 2012-02-29 — — CN disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 — — US disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 — — US disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 — — US disclosed
WO-2010108651-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2010-09-30 — — 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 (2 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-20130231327-A1 Substituted Spiro-Amide Compounds BDKRB1, BDKRB2, REN TRPM8 406/4885HPGD 386/4885TSHR 338/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN TRPM8 406/4885HPGD 386/4885TSHR 338/4885

“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.