Sugi Predict

Sugi Predict / Compounds / SCHEMBL957779

SCHEMBL957779

SCHEMBL957779

C[C@H](N)c1ccc(OC(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 1/20 0.46
▸ PDE2A O00408 2/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ DRD1 P21728 1/20 0.41
▸ PKM P14618 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ CCR6 P51684 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ ADAM17 P78536 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ HSD11B1 P28845 1/20 0.38
▸ KDM4E B2RXH2 2/20 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
SCHEMBL3647104 1.00 ADRB2 (0.46) ADRB2PDE2ASLC6A4MEN1KMT2A
Hydrochloric Acid SCHEMBL19362148 0.98 ADRB2 (0.45) ADRB2PDE2ASLC6A4MEN1KMT2A
Hydrochloric Acid SCHEMBL4934770 0.98 ADRB2 (0.45) ADRB2PDE2ASLC6A4MEN1KMT2A
SCHEMBL756549 0.94 ADRB2 (0.42) ADRB2PDE2ASLC6A4MEN1KMT2A
SCHEMBL184737 0.89 ROCK1 (0.47) ADRB2MEN1KMT2APKMALDH1A1
Fluorobenzene SCHEMBL8604973 0.88 KMT2A (0.45) ADRB2SLC6A4MEN1KMT2APKM
SCHEMBL16225180 0.83 MEN1 (0.40) PDE2ASLC6A4MEN1KMT2ADRD1
SCHEMBL16234262 0.83 MEN1 (0.40) PDE2ASLC6A4MEN1KMT2ADRD1
SCHEMBL16234259 0.83 MEN1 (0.40) PDE2ASLC6A4MEN1KMT2ADRD1
SCHEMBL14121172 0.82 ADRB2 (0.50) ADRB2PDE2AMEN1KMT2AALDH1A1

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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240279227-A1 FUSED HETEROCYCLIC DERIVATIVES JANSSEN BIOTECH, INC. 2024-08-22 — — US disclosed
CN-117881661-A Condensed heterocyclic derivative 杨森科学爱尔兰无限公司 2024-04-12 — — CN disclosed
EP-4347036-A1 FUSED HETEROCYCLIC DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2024-04-10 — — EP disclosed
US-20230365546-A1 5-SUBSTITUTED INDOLE 3-AMIDE DERIVATIVES, PREPARATION METHOD AND USE THEREOF ORIGIANT PHARMACEUTICAL CO., LTD (CN) 2023-11-16 — — US disclosed
CN-112062730-B 4-oxo-3, 4-dihydro-1, 2, 3-benzotriazines as modulators of GPR139 武田药品工业株式会社 2023-09-29 — — CN disclosed
WO-2022253255-A1 FUSED HETEROCYCLIC DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2022-12-08 — — WO disclosed
WO-2022253255-A1 FUSED HETEROCYCLIC DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2022-12-08 — — WO disclosed
US-11173161-B2 4-oxo-3,4-dihydro-1,2,3-benzotriazine modulators of GPR139 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-11-16 — — US disclosed
EP-3536324-B1 4-OXO-3,4-DIHYDRO-1,2,3-BENZOTRIAZINES AS MODULATORS OF GPR139 TAKEDA PHARMACEUTICALS CO (JP) 2021-10-06 — — EP disclosed
CN-112062730-A 4-oxo-3, 4-dihydro-1, 2, 3-benzotriazines as modulators of GPR139 武田药品工业株式会社 2020-12-11 — — CN disclosed
EP-2183228-B1 CYCLIC INHIBITORS OF 11ß -HYDROXYSTERIOD DEHYDROGENASE 1 VITAE PHARMACEUTICALS INC (US) 2014-08-20 — — EP disclosed
US-8765744-B2 Azaspirohexanones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-01 — — US disclosed
US-8575156-B2 Cyclic inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2013-11-05 — — US disclosed
US-8575156-B2 Cyclic inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2013-11-05 — — US disclosed
US-8575156-B2 Cyclic inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2013-11-05 — — US disclosed
EP-2585444-A1 AZASPIROHEXANONES AS INHIBITORS OF 11-BETA-HSD1 FOR THE TREATMENT OF METABOLIC DISORDERS Boehringer Ingelheim International GmbH (DE) 2013-05-01 — — EP disclosed
US-20120190675-A1 Azaspirohexanones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-07-26 — — US disclosed
WO-2011161128-A1 AZASPIROHEXANONES AS INHIBITORS OF 11-BETA-HSD1 FOR THE TREATMENT OF METABOLIC DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-29 — — WO disclosed
US-20110015157-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 Vitae Pharmaceuticals ,Inc. 2011-01-20 — — US disclosed
WO-2009017664-A1 CYCLIC INHIBITORS OF 11β-HYDROXYSTERIOD DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-02-05 — — 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-20230365546-A1 5-SUBSTITUTED INDOLE 3-AMIDE DERIVATIVES, PREPARATION METHOD AND USE THEREOF RIPK1, RIPK3, RIPK2 ADRB2 3007/4885PDE2A 2977/4885SLC6A4 836/4885
US-20120190675-A1 Azaspirohexanones HSD11B1, HSD3B1, HSD17B1 ADRB2 280/4885PDE2A 696/4885SLC6A4 4494/4885
US-20240279227-A1 FUSED HETEROCYCLIC DERIVATIVES HAVCR2, HCCS, GOT2 ADRB2 3087/4885PDE2A 3603/4885SLC6A4 4654/4885
US-20110015157-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD11B2, HSD3B1 ADRB2 557/4885PDE2A 391/4885SLC6A4 3160/4885
US-11173161-B2 4-oxo-3,4-dihydro-1,2,3-benzotriazine modulators of GPR139 GPR139, GPR3, GPR84 ADRB2 70/4885PDE2A 448/4885SLC6A4 1579/4885

“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.