Sugi Predict

Sugi Predict / Compounds / SCHEMBL674106

SCHEMBL674106

SCHEMBL674106

NC1c2ccccc2C[C@H]1O

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ANPEP P15144 2/20 0.48
▸ KDM1A O60341 4/20 0.47
▸ HTR2A P28223 1/20 0.45
▸ SIGMAR1 Q99720 2/20 0.43
▸ GRIN2D O15399 1/20 0.39
▸ GRIN3B O60391 1/20 0.39
▸ GRIN1 Q05586 1/20 0.39
▸ GRIN2A Q12879 1/20 0.39
▸ GRIN2B Q13224 1/20 0.39
▸ GRIN2C Q14957 1/20 0.39
▸ GRIN3A Q8TCU5 1/20 0.39

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
SCHEMBL29593884 1.00 ANPEP (0.48) ANPEPKDM1AHTR2ASIGMAR1GRIN2D
SCHEMBL29775131 1.00 ANPEP (0.48) ANPEPKDM1AHTR2ASIGMAR1GRIN2D
SCHEMBL1002064 1.00 ANPEP (0.48) ANPEPKDM1AHTR2ASIGMAR1GRIN2D
SCHEMBL83474 1.00 ANPEP (0.48) ANPEPKDM1AHTR2ASIGMAR1GRIN2D
SCHEMBL163841 1.00 ANPEP (0.48) ANPEPKDM1AHTR2ASIGMAR1GRIN2D
SCHEMBL1161605 1.00 ANPEP (0.48) ANPEPKDM1AHTR2ASIGMAR1GRIN2D
SCHEMBL3216510 1.00 ANPEP (0.48) ANPEPKDM1AHTR2ASIGMAR1GRIN2D
SCHEMBL5635861 1.00 ANPEP (0.48) ANPEPKDM1AHTR2ASIGMAR1GRIN2D
SCHEMBL163842 1.00 ANPEP (0.48) ANPEPKDM1AHTR2ASIGMAR1GRIN2D
SCHEMBL29777394 1.00 ANPEP (0.48) ANPEPKDM1AHTR2ASIGMAR1GRIN2D

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
EP-1633348-B1 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B sb 1 /sb RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ELAN PHARM INC (US) 2008-10-08 — — EP claimed
EP-0749410-A1 REGIOSPECIFIC PROCESSES TO MAKE CIS-1-AMINO-2-ALKANOL FROM DIOL OR HALOHYDRIN MERCK & CO. INC. (US) 1996-12-27 — — EP claimed
WO-1995024374-A1 REGIOSPECIFIC PROCESSES TO MAKE CIS-1-AMINO-2-ALKANOL FROM DIOL OR HALOHYDRIN MERCK & CO., INC. (US) 1995-09-14 — — WO claimed
WO-2023168246-A2 SELECTIVE G PROTEIN-COUPLED RECEPTOR KINASE 5 INHIBITORS, COMPOSITIONS, AND METHODS OF USE PURDUE RESEARCH FOUNDATION (US) 2023-09-07 — — WO disclosed
CN-111868065-A C-sterically hindered P-chirally derived organophosphorus compounds 勃艮第大学 2020-10-30 — — CN disclosed
CN-101611005-B Substituted acetophenones useful as PDE4 inhibitors LEO PHARMA AS 2013-11-06 — — CN disclosed
US-8497380-B2 Substituted acetophenones useful as PDE4 inhibitors LEO PHARMA A/S (DK) 2013-07-30 — — US disclosed
US-20130012716-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS FELDING JAKOB (DK) 2013-01-10 — — US disclosed
US-8324394-B2 Substituted acetophenones useful as PDE4 inhibitors LEO PHARMA A/S (DK) 2012-12-04 — — US disclosed
US-20120165539-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS FELDING JAKOB (DK) 2012-06-28 — — US disclosed
CN-102459238-A 2, 3-dihydro-1h-indene compounds and their use to treat cancer ASTRAZENECA AB 2012-05-16 — — CN disclosed
WO-1996036724-A1 QUANTITATIVE CONVERSION OF INDENE TO (1S,2R) INDENE OXIDE AND (1S,2R)-INDANDIOL BY COMBINATION OF HALOPEROXIDASE BIOCONVERSION AND CHEMICAL STEPS MERCK & CO., INC. (US) 1996-11-21 — — WO disclosed
WO-1996028439-A1 PROCESS TO MAKE HIV PROTEASE INHIBITOR FROM 2(S)-4-PICOLYL-2-PIPERAZINE-t-BUTYLCARBOXAMIDE MERCK & CO., INC. (US) 1996-09-19 — — WO disclosed
WO-1996028440-A1 REDUCTIVE ALKYLATION PROCESS FOR THE PREPARATION N-(2-(R)-HYDROXY-1-(S)-INDANYL)-2(R)-PHENYLMETHYL-4(S)-HYDROXY-5-(1-(4-(3-PYRIDYLMETHYL)-2(S)-N'-(t-BUTYLCARBOXAMIDO)-PIPERAZINYL))-PENTANEAMIDE (=COMPOUND J OR L-735,524) MERCK & CO., INC. (US) 1996-09-19 — — WO disclosed
WO-1996012818-A1 BIOLOGICAL RESOLUTION OF RACEMIC INDENE OXIDE TO (1S,2R)-INDENE OXIDE MERCK & CO., INC. (US) 1996-05-02 — — WO disclosed
WO-1995028397-A1 ALPHA1C ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1995-10-26 — — WO disclosed
WO-1995024374-A1 REGIOSPECIFIC PROCESSES TO MAKE CIS-1-AMINO-2-ALKANOL FROM DIOL OR HALOHYDRIN MERCK & CO., INC. (US) 1995-09-14 — — WO disclosed
WO-1995024375-A1 REGIOSPECIFIC PROCESS TO MAKE CIS-1-AMINO-2-ALKANOL FROM EPOXIDE MERCK & CO., INC. (US) 1995-09-14 — — WO disclosed
EP-0578745-A1 PHOSPHORUS CONTAINING COMPOUNDS AS INHIBITORS OF RETROVIRUSES THE UPJOHN COMPANY (US) 1994-01-19 — — EP disclosed
WO-1992017490-A1 PHOSPHORUS CONTAINING COMPOUNDS AS INHIBITORS OF RETROVIRUSES THE UPJOHN COMPANY (US) 1992-10-15 — — 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-20120165539-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS PDE4A, PDE4B, PDE3B ANPEP 1062/4885KDM1A 1444/4885HTR2A 3242/4885
US-20130012716-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS PDE4A, PDE3B, PDE5A ANPEP 741/4885KDM1A 1021/4885HTR2A 2801/4885

“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.