Sugi Predict

Sugi Predict / Compounds / SCHEMBL2544973

SCHEMBL2544973

SCHEMBL2544973

O=C(O)[C@H]1CC[C@H](c2cccc(F)n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 6/20 0.47
▸ PDE4A P27815 5/20 0.47
▸ PDE4B Q07343 5/20 0.47
▸ PDE4C Q08493 5/20 0.47
▸ HTR1A P08908 1/20 0.46
▸ DRD2 P14416 1/20 0.46
▸ DRD4 P21917 1/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ AKR1C3 P42330 1/20 0.44
▸ AKR1C1 Q04828 1/20 0.44
▸ OPRM1 P35372 1/20 0.41
▸ OPRL1 P41146 1/20 0.41
▸ VCP P55072 4/20 0.40
▸ POLB P06746 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ FFAR4 Q5NUL3 2/20 0.36
▸ CNR2 P34972 2/20 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
SCHEMBL2544977 1.00 PDE4D (0.47) PDE4DPDE4APDE4BPDE4CHTR1A
SCHEMBL29115901 0.84 OPRM1 (0.47) HTR1ADRD2DRD4OPRM1OPRL1
SCHEMBL31419081 0.84 OPRM1 (0.47) HTR1ADRD2DRD4OPRM1OPRL1
SCHEMBL2549354 0.82 HTR1A (0.51) HTR1ADRD2DRD4NPC1RAB9A
SCHEMBL12261621 0.82 HTR1A (0.46) HTR1ADRD2DRD4NPC1RAB9A
SCHEMBL2549353 0.82 HTR1A (0.51) HTR1ADRD2DRD4NPC1RAB9A
SCHEMBL2544291 0.81 PDE4D (0.47) PDE4DPDE4APDE4BPDE4CNPC1
SCHEMBL2544294 0.81 PDE4D (0.47) PDE4DPDE4APDE4BPDE4CNPC1
SCHEMBL2544267 0.79 KDM4E (0.46) HTR1ADRD2DRD4POLBHPGD
SCHEMBL2544265 0.79 KDM4E (0.46) HTR1ADRD2DRD4POLBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2560975-B1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES AS VASOPRESSIN V1A RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2015-06-17 — — EP disclosed
EP-2560975-B1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES AS VASOPRESSIN V1A RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2015-06-17 — — EP disclosed
US-8492376-B2 Heteroaryl-cyclohexyl-tetraazabenzo[e]azulenes HOFFMANN-LA ROCHE INC. (US) 2013-07-23 — — US disclosed
US-8492376-B2 Heteroaryl-cyclohexyl-tetraazabenzo[e]azulenes HOFFMANN-LA ROCHE INC. (US) 2013-07-23 — — US disclosed
EP-2560975-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES AS VASOPRESSIN V1A RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2013-02-27 — — EP disclosed
WO-2011131596-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES AS VASOPRESSIN V1A RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2011-10-27 — — WO disclosed
US-20110263578-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES HOFFMANN-LA ROCHE, INC. 2011-10-27 — — US disclosed
US-20110263578-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES HOFFMANN-LA ROCHE, INC. 2011-10-27 — — US disclosed
US-20110263578-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES HOFFMANN-LA ROCHE, INC. 2011-10-27 — — 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-20110263578-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES AVPR1A, AVPR1B, OXTR PDE4D 2975/4885PDE4A 3075/4885PDE4B 3825/4885

“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.