SCHEMBL5786819

SCHEMBL5786819

CC(C)(C)OC(=O)N1CCC[C@@]2(C=CCO2)[C@@H]1c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 7/20 0.43
▸ NR1H3 Q13133 6/20 0.43
▸ RXRA P19793 4/20 0.43
▸ RIPK1 Q13546 1/20 0.40
▸ GPR119 Q8TDV5 1/20 0.40
▸ KLK7 P49862 1/20 0.39
▸ HCRTR2 O43614 1/20 0.39
▸ ABCB1 P08183 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ EPHX2 P34913 1/20 0.37
▸ KDM1A O60341 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ RORC P51449 1/20 0.36

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
SCHEMBL6075001 1.00 NR1H2 (0.43) NR1H2NR1H3RXRARIPK1GPR119
SCHEMBL8157924 0.96 NR1H2 (0.41) NR1H2NR1H3RXRARIPK1GPR119
SCHEMBL8153805 0.96 NR1H2 (0.41) NR1H2NR1H3RXRARIPK1GPR119
SCHEMBL5784791 0.80 KLK7 (0.41) NR1H2NR1H3RXRARIPK1GPR119
SCHEMBL9024216 0.79 NR1H2 (0.47) NR1H2NR1H3RXRARIPK1GPR119
SCHEMBL7658870 0.78 NR1H2 (0.45) NR1H2NR1H3RXRARIPK1GPR119
SCHEMBL5783771 0.76 NR1H2 (0.40) NR1H2NR1H3RXRARIPK1GPR119
SCHEMBL5786253 0.76 NR1H2 (0.43) NR1H2NR1H3RXRARIPK1GPR119
SCHEMBL5786783 0.76 NR1H2 (0.43) NR1H2NR1H3RXRARIPK1GPR119
SCHEMBL5785423 0.75 NR1H2 (0.41) NR1H2NR1H3RXRARIPK1GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7119207-B2 Benzoamide piperidine containing compounds and related compounds PFIZER INC (US) 2006-10-10 — — US disclosed
EP-0929554-B1 SPIRO-AZACYCLIC DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TACHYKININ ANTAGONISTS MERCK SHARP & DOHME (GB) 2006-03-15 — — EP disclosed
US-20030087925-A1 Benzoamide piperidine containing compounds and related compounds PFIZER INC. 2003-05-08 — — US disclosed
EP-1272484-A2 BENZOAMIDE PIPERIDINE COMPOUNDS AS SUBSTANCE P ANTAGONISTS Pfizer Products Inc. (US) 2003-01-08 — — EP disclosed
WO-2001077100-A2 BENZOAMIDE PIPERIDINE COMPOUNDS AS SUBSTANCE P ANTAGONISTS PFIZER PRODUCTS INC. (US) 2001-10-18 — — WO disclosed
US-6225320-B1 TREATMENT OF PAIN, INFLAMMATION, MIGRAINE, EMESIS AND POSTTHERPETIC NEURALGIA MERCK SHARP & DOHME LTD. (GB) 2001-05-01 — — US disclosed
US-6046195-A Spiro-azacyclic derivatives, their preparation and their use as tachykinin antagonists MERCK SHARP & DOHME LTD. (GB) 2000-04-04 — — 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-20030087925-A1 Benzoamide piperidine containing compounds and related compounds TACR1, VIPR1, VIPR2 NR1H2 2630/4885NR1H3 3549/4885RXRA 3166/4885

“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.

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