Sugi Predict

Sugi Predict / Compounds / SCHEMBL389193

SCHEMBL389193

SCHEMBL389193

O[C@H]1CCN(c2ccc(Br)cn2)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 2/20 0.52
▸ GRIN2D O15399 1/20 0.47
▸ GRIN3B O60391 1/20 0.47
▸ GRIN1 Q05586 1/20 0.47
▸ GRIN2A Q12879 1/20 0.47
▸ GRIN2B Q13224 1/20 0.47
▸ GRIN2C Q14957 1/20 0.47
▸ GRIN3A Q8TCU5 1/20 0.47
▸ AKR1C3 P42330 1/20 0.46
▸ TRPV1 Q8NER1 1/20 0.43
▸ LCAT P04180 1/20 0.41
▸ MCHR1 Q99705 3/20 0.40
▸ ALOX5AP P20292 2/20 0.39
▸ CHRM4 P08173 1/20 0.39
▸ PANK3 Q9H999 1/20 0.39
▸ ADK P55263 1/20 0.39
▸ ACACB O00763 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ PRKDC P78527 1/20 0.37
▸ JAK2 O60674 1/20 0.37

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
SCHEMBL387850 1.00 PDE10A (0.52) PDE10AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL387851 1.00 PDE10A (0.52) PDE10AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3913667 0.94 PDE10A (0.48) PDE10AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL23246758 0.91 PDE10A (0.47) PDE10AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL15205870 0.91 PDE10A (0.47) PDE10AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL15205869 0.91 PDE10A (0.47) PDE10AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL578596 0.90 AKR1C3 (0.51) PDE10AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30283050 0.86 PDE10A (0.50) PDE10AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL13547453 0.86 PDE10A (0.50) PDE10AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL15205475 0.82 GRIN2D (0.48) PDE10AGRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115894482-A RET inhibitor and preparation method and application thereof 深圳长铭医药有限公司 2023-04-04 — — CN disclosed
US-8101764-B2 MCH receptor antagonists ELI LILLY AND COMPANY (US) 2012-01-24 — — US disclosed
US-7968720-B2 Secondary amines as renin inhibitors ACTELION PHARMACEUTICALS LTD. (CH) 2011-06-28 — — US disclosed
US-20100016350-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2010-01-21 — — US disclosed
US-20090176823-A1 Secondary Amines as Renin Inhibitors ACTELION PHARMACEUTICALS LTD. (CH) 2009-07-09 — — US disclosed
US-20090088457-A1 Primary Amines as Renin Inhibitors ACTELION PHARMACEUTICALS, LTD. (CH) 2009-04-02 — — US disclosed
US-20090062342-A1 AMINES ACTELION PHARMACEUTICALS LTD. (CH) 2009-03-05 — — US disclosed
EP-2029610-A2 NOVEL MCH RECEPTOR ANTAGONISTS Eli Lilly & Company (US) 2009-03-04 — — EP disclosed
EP-2029542-A2 PRIMARY AMINES AS RENIN INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2009-03-04 — — EP disclosed
EP-1994026-A2 NEW AMINES Actelion Pharmaceuticals Ltd. (CH) 2008-11-26 — — EP disclosed
EP-1981847-A1 SECONDARY AMINES AS RENIN INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2008-10-22 — — EP disclosed
WO-2008041090-A1 MALANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONIST PYRIDINONES PFIZER LIMITED (GB) 2008-04-10 — — WO disclosed
US-20080085884-A1 Melanin Concentrating Hormone Receptor-1 Antagonist Pyridinones PFIZER INC 2008-04-10 — — US disclosed
US-20080085884-A1 Melanin Concentrating Hormone Receptor-1 Antagonist Pyridinones PFIZER INC 2008-04-10 — — US disclosed
US-20080085884-A1 Melanin Concentrating Hormone Receptor-1 Antagonist Pyridinones PFIZER INC 2008-04-10 — — US disclosed
WO-2007146759-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-12-21 — — WO disclosed
WO-2007102127-A2 NEW AMINES ACTELION PHARMACEUTICALS LTD (CH) 2007-09-13 — — WO disclosed
WO-2007099509-A2 PRIMARY AMINES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2007-09-07 — — WO disclosed
WO-2007088514-A1 SECONDARY AMINES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2007-08-09 — — 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 (5 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-20080085884-A1 Melanin Concentrating Hormone Receptor-1 Antagonist Pyridinones MCHR1, MCHR2, MC1R PDE10A 683/4885GRIN2D 3410/4885GRIN3B 1948/4885
US-20090088457-A1 Primary Amines as Renin Inhibitors REN, ACE, AGTR1 PDE10A 221/4885GRIN2D 3367/4885GRIN3B 1635/4885
US-20100016350-A1 NOVEL MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R PDE10A 1526/4885GRIN2D 2397/4885GRIN3B 1056/4885
US-20090062342-A1 AMINES REN, ACE, MAOA PDE10A 235/4885GRIN2D 3286/4885GRIN3B 1695/4885
US-20090176823-A1 Secondary Amines as Renin Inhibitors REN, ACE, AGTR1 PDE10A 276/4885GRIN2D 2768/4885GRIN3B 1387/4885

“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.